Molecule

ID:51597

General Information
Structure
MolImage
Molecular Formula
C₆H₅FN₂O
Molecular Mass
140.1151032
Exact Mass
140.03859101
Charge
0
InChI
InChI=1S/C6H5FN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-3H,(H2,8,9)
InChIKey
WAPFBFSGMCGIAL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)cnc1N
Isomeric Smiles
c1(cnc(c(c1)C=O)N)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0251522
LogD (pH = 7.4)
1.0262947
Log P
1.0263093
Molar Refractivity
35.7154
Polarizability
12.243313
Polar Surface Area
55.98
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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