기본 정보
- 표준 SMILES
Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)O)cc3)c2)o1- InChIKey
VROADSGRHRDRSN-UHFFFAOYSA-N- 분자식
- C17H14N2O3
- 평균 분자량
- 294.3 g/mol
이름 및 식별자
- 우선 이름
- 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic Acid
- IUPAC
- 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic acid
이름 및 동의어
180082-70-62'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,1'-biphenyl]-4-carboxylicacid2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,1'-biphenyl]-4-carboxylic acidCHEMBL272750SCHEMBL4856436BDBM25995VROADSGRHRDRSN-UHFFFAOYSA-N4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic AcidEBC-47123GW608005XEN300-26624146Z2216900551
이름 더 보기
2'-methyl-5'-(5-methyl-1,3,4 oxadiazol-2-yl)-1,1'-biphenyl-4-carboxylic acid2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1 '-biphenyl-4-carboxylic acid2'-Methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl 4-carboxylic acid2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxylic acid2'-Methyl-5'-(5methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 11220119
- ChEMBL
CHEMBL272750
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 76.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 395
관련 반응
138건
연결된 노트
불러오는 중…