O=C1Nc2cc(Cl)c(Cl)cc2N2CCNC[C@@H]12
SMILES: O=C1Nc2cc(Cl)c(Cl)cc2N2CCNC[C@@H]12

Molecular Processing

Molecular formula
C11H11Cl2N3O
Molecular weight
272.14
Exact mass
271.0279
XLogP
1.72
TPSA
44.37
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
69.1

Supplementary Information

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