Molecule

ID:65975

General Information
Structure
MolImage
Molecular Formula
C₉H₇FN₂O
Molecular Mass
178.1630832
Exact Mass
178.05424107
Charge
0
InChI
InChI=1S/C9H7FN2O/c1-6-2-3-7(4-8(6)10)9-11-5-13-12-9/h2-5H,1H3
InChIKey
YCWDOQVXUVNYLQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1F)c1nocn1
Isomeric Smiles
c1(ncon1)c1cc(c(cc1)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7658906
LogD (pH = 7.4)
2.7658906
Log P
2.7658906
Molar Refractivity
57.3428
Polarizability
17.173615
Polar Surface Area
38.92
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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