이름: 6,7-dihydro-5-(4-nitrobenzoyl)-5H-pyrrolo[1,2-a][1,5]benzodiazepine
SMILES:
O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2cccn2-c2ccccc21Molecular Processing
Molecular formula
C19H15N3O3
Molecular weight
333.35
Exact mass
333.1113
XLogP
3.59
TPSA
68.38
H-bond donors
0
H-bond acceptors
3
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
6
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
94.25
Supplementary Information
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