Molecule

ID:97045

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNO
Molecular Mass
151.1377432
Exact Mass
151.04334204
Charge
0
InChI
InChI=1S/C8H6FNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
InChIKey
FWRCOINKYLERQL-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(c(c1)F)C
Isomeric Smiles
N(=C=O)c1cc(c(cc1)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5389247
LogD (pH = 7.4)
2.5389247
Log P
2.5389247
Molar Refractivity
40.3876
Polarizability
14.113382
Polar Surface Area
29.43
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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