Molecule

ID:75304

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO
Molecular Mass
95.0993
Exact Mass
95.03711379
Charge
0
InChI
InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKey
UBQKCCHYAOITMY-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccn1
Isomeric Smiles
n1c(cccc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.05
LogD (pH = 5.5)
1.05
Log P
1.05
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
11.70
Polar Surface Area
33.12
Polarizability
9.20
Molar Refractivity
26.20
LOG S
-0.28
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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