O=C(c1ccc(Cl)c(Cl)c1)C1CCNCC1
SMILES: O=C(c1ccc(Cl)c(Cl)c1)C1CCNCC1

Molecular Processing

Molecular formula
C12H13Cl2NO
Molecular weight
258.15
Exact mass
257.0374
XLogP
3.18
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
66.39

Supplementary Information

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