Название: 2,3,3a,4,9,10a-hexahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
SMILES:
O=C1Nc2ccccc2NC2CCCC12Molecular Processing
Molecular formula
C12H14N2O
Molecular weight
202.26
Exact mass
202.1106
XLogP
2.22
TPSA
41.13
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
59.82
Supplementary Information
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