Molecule

ID:67329

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO
Molecular Mass
109.12588
Exact Mass
109.05276385
Charge
0
InChI
InChI=1S/C6H7NO/c1-5-4-6(8)2-3-7-5/h2-4H,1H3,(H,7,8)
InChIKey
KZDSIZCJICMHJW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccnc(c1)C
Isomeric Smiles
c1(cc(ccn1)O)C
Calculated Properties
JChem
Acid pKa
11.452527
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5774814
LogD (pH = 7.4)
0.58326304
Log P
0.58337826
Molar Refractivity
30.4735
Polarizability
11.794438
Polar Surface Area
33.12
Rotatable Bonds
0
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
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References
Bioactivity
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