SMILES:
O=[N+]([O-])c1ccc2c3c(ccc2c1)NCC3CClMolecular Processing
Molecular formula
C13H11ClN2O2
Molecular weight
262.7
Exact mass
262.0509
XLogP
3.5
TPSA
55.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
72.55
Supplementary Information
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