Cc1ccnc2c1C(=O)CC(c1ccccc1Cl)C2
SMILES: Cc1ccnc2c1C(=O)CC(c1ccccc1Cl)C2

Molecular Processing

Molecular formula
C16H14ClNO
Molecular weight
271.75
Exact mass
271.0764
XLogP
3.96
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
75.82

Supplementary Information

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