SMILES:
Clc1ccc2[nH]cc(C3=CCNCC3)c2c1Molecular Processing
Molecular formula
C13H13ClN2
Molecular weight
232.71
Exact mass
232.0767
XLogP
3.2
TPSA
27.82
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
68.77
Supplementary Information
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