Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- O=C(O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
- InChIKey
- MDNVIERJIAHIIH-UHFFFAOYSA-N
- 分子式
- C16H11NO3
- 平均分子量
- 265.26 g/mol
- 单同位素质量
- 265.07389321
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 66.4 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 437
GHS
GHS分类
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
HAZARDS
危害信息
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
ALIASES
名称与别名
90033-85-54-Oxo-2-phenyl-1,4-dihydroquinoline-6-carboxylic acid4-hydroxy-2-phenylquinoline-6-carboxylic acid4-OXO-2-PHENYL-1H-QUINOLINE-6-CARBOXYLIC ACID4-Hydroxy-2-phenyl-6-quinolinecarboxylic acidSCHEMBL41296794-oxo-2-phenyl-1,4-dihydro-6-quinolinecarboxylic acid4-Oxo-2-phenyl-1,4-dihydro-quinoline-6-carboxylic acidCHEMBL4565597SCHEMBL29902964DTXSID30540287MDNVIERJIAHIIH-UHFFFAOYSA-NAKOS015948961DB-111048AS-871/43477102
REACTIONS
