O=C(O)C1=c2ccccc2=CC=C2CC=CC=C21
Name: Dibenzo[a,d]cycloheptene-5-carboxylic acid
SMILES: O=C(O)C1=c2ccccc2=CC=C2CC=CC=C21

Molecular Processing

Molecular formula
C16H12O2
Molecular weight
236.27
Exact mass
236.0837
XLogP
1.53
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
71.12

Supplementary Information

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