N#CC=C(N)c1ccc(Cl)cc1
الاسم: 3-amino-3-(4-chlorophenyl)prop-2-enenitrile
SMILES: N#CC=C(N)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C9H7ClN2
Molecular weight
178.62
Exact mass
178.0298
XLogP
2.16
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
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
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
49.23

Supplementary Information

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