SMILES:
ClCCCOc1ccccc1C=Cc1nc2ccccc2o1Molecular Processing
Molecular formula
C18H16ClNO2
Molecular weight
313.78
Exact mass
313.087
XLogP
5.01
TPSA
35.26
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
90.21
Supplementary Information
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