COc1c(C#N)ccc(N)c1Cl
SMILES: COc1c(C#N)ccc(N)c1Cl

Molecular Processing

Molecular formula
C8H7ClN2O
Molecular weight
182.61
Exact mass
182.0247
XLogP
1.8
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
47.13

Supplementary Information

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