Molecule

ID:35905

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO
Molecular Mass
137.1111632
Exact Mass
137.02769197
Charge
0
InChI
InChI=1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey
VZNCSZQPNIEEMN-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccccc1F
Isomeric Smiles
C(=Nc1c(F)cccc1)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0255034
LogD (pH = 7.4)
2.0255034
Log P
2.0255034
Molar Refractivity
35.3464
Polarizability
12.364419
Polar Surface Area
29.43
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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