SMILES:
O=C1Cc2cc3c(cc2C(c2ccccc2Cl)N1)OCO3Molecular Processing
Molecular formula
C16H12ClNO3
Molecular weight
301.73
Exact mass
301.0506
XLogP
2.83
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
77.71
Supplementary Information
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