SMILES:
Cc1cccc(NCCC#N)c1Molecular Processing
Molecular formula
C10H12N2
Molecular weight
160.22
Exact mass
160.1
XLogP
2.32
TPSA
35.82
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
49.9
Supplementary Information
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