이름: 10-[4-(2-Methyl-cyclohex-1-enyl)-benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid
SMILES:
CC1=C(c2ccc(C(=O)N3Cc4ccc(C(=O)O)n4Cc4ccccc43)cc2)CCCC1Molecular Processing
Molecular formula
C27H26N2O3
Molecular weight
426.52
Exact mass
426.1943
XLogP
5.74
TPSA
62.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
124.95
Supplementary Information
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