C1CN(CCC1C(=O)O)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl
이름: 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxylic acid
SMILES: C1CN(CCC1C(=O)O)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl

Molecular Processing

Molecular formula
C22H21ClN2O3
Molecular weight
396.87
Exact mass
396.1241
XLogP
4.28
TPSA
62.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
108.76

Supplementary Information

InChIKey: DXNPVEAZMWVTQT-UHFFFAOYSA-N
동의어
SCHEMBL12803880DXNPVEAZMWVTQT-UHFFFAOYSA-N1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)piperidine-4-carboxylic acid
출처 보기 →
38개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→