Molecule

ID:9428

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3
InChIKey
WJBMRZAHTUFBGE-UHFFFAOYSA-N
Canonic Smiles
NCCc1cccc(c1)OC
Isomeric Smiles
C(CN)c1cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7784941
LogD (pH = 7.4)
-1.0538944
Log P
1.2300042
Molar Refractivity
45.7496
Polarizability
17.990263
Polar Surface Area
35.25
Rotatable Bonds
3
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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