SMILES:
O=CNCc1cc(CCCCl)ccn1Molecular Processing
Molecular formula
C10H13ClN2O
Molecular weight
212.68
Exact mass
212.0716
XLogP
1.5
TPSA
41.99
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
14
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
0.4
Molar refractivity
56.18
Supplementary Information
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