Molecule

ID:67919

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-3-7-8(10)5-4-6(2)9-7/h4-5,10H,3H2,1-2H3
InChIKey
JPGDYIGSCHWQCC-UHFFFAOYSA-N
Canonic Smiles
CCc1nc(C)ccc1O
Isomeric Smiles
c1(c(ccc(n1)C)O)CC
Calculated Properties
JChem
Acid pKa
10.04776
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4303791
LogD (pH = 7.4)
1.3637275
Log P
1.4152843
Molar Refractivity
39.6919
Polarizability
15.403638
Polar Surface Area
33.12
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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