이름: 4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)benzoic acid
SMILES:
O=C(O)c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Molecular Processing
Molecular formula
C20H16N2O3
Molecular weight
332.36
Exact mass
332.1161
XLogP
3.4
TPSA
62.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
93.89
Supplementary Information
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