Name: methyl 6,11-dihydro-11-chlorodibenz[b,e]oxepin-2-carboxylic acid
SMILES:
Cc1c(C(=O)O)ccc2c1C(Cl)c1ccccc1CO2Molecular Processing
Molecular formula
C16H13ClO3
Molecular weight
288.73
Exact mass
288.0553
XLogP
3.91
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
76.61
Supplementary Information
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