CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)Br)C(=O)OC)F
Name: methyl 6-bromo-2-fluoro-3-(4-pentylcyclohexyl)benzoate
SMILES: CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)Br)C(=O)OC)F

Molecular Processing

Molecular formula
C19H26BrFO2
Molecular weight
385.32
Exact mass
384.11
XLogP
6.23
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
94.28

Supplementary Information

InChIKey: NRZIJCCVRBHFCO-UHFFFAOYSA-N
Synonyme
SCHEMBL5100105SCHEMBL5100359SCHEMBL14277912NRZIJCCVRBHFCO-UHFFFAOYSA-Nmethyl 6-bromo-2-fluoro-3-(4-pentylcyclohexyl)benzoate
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