이름: trans-7-chloro-1,2,3,4,10,14b-hexahydro-10-methyldibenzo[b,f]pyrido[1,2-d][1,4]-diazepin-1-ylamine
SMILES:
CN1c2ccccc2[C@@H]2[C@H](N)CCCN2c2cc(Cl)ccc21Molecular Processing
Molecular formula
C18H20ClN3
Molecular weight
313.83
Exact mass
313.1346
XLogP
4.09
TPSA
32.5
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22
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
0.333
Molar refractivity
93.25
Supplementary Information
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