Nom: trans-7-chloro-1,2,3,4,10,14b-hexahydrodibenzo[b,f]pyrido[1,2-d][1,4]diazepine-1-amine
SMILES:
N[C@@H]1CCCN2c3cc(Cl)ccc3Nc3ccccc3[C@H]12Molecular Processing
Molecular formula
C17H18ClN3
Molecular weight
299.81
Exact mass
299.1189
XLogP
4.07
TPSA
41.29
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
88.47
Supplementary Information
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