이름: 1,2,3,4,10,11a-hexahydro-11H-dibenzo [b,e][1,4]diazepin-11-one
SMILES:
O=C1Nc2ccccc2N=C2CCCCC12Molecular Processing
Molecular formula
C13H14N2O
Molecular weight
214.27
Exact mass
214.1106
XLogP
2.9
TPSA
41.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
64.12
Supplementary Information
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