Basic information
- CAS
90053-09-1- Standard SMILES
O=C(O)CCCn1c2ccccc2c2ccccc21- InChIKey
HQAKVYGASUTQHH-UHFFFAOYSA-N- Molecular formula
- C16H15NO2
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.11027872
Names & identifiers
- Preferred name
- Carbazole Butanoic Acid
- IUPAC
- 4-carbazol-9-ylbutanoic acid
Names & synonyms
CARBAZOLE BUTANOIC ACID4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDDTXSID50332287RefChem:574163DTXCID902833809H-Carbazole-9-butanoic acid90053-09-1CHEMBL1855954-Carbazol-9-yl-butyric acid1tow4-(N-Carbazolyl)butyric acid4-(N-carbazolyl) butyric acid
Show more names
4-Carbazol-9-yl-butanoic acidSCHEMBL4314440SCHEMBL3057315923N7C49PW9BDBM50152851MFCD09803917AKOS000153937DB03851
Database identifiers
- CAS
90053-09-1- PubChem CID
- 448769
- DTXSID
DTXSID50332287- ChEMBL
CHEMBL185595- UNII
- 23N7C49PW9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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