Molecule

ID:112005

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKey
VIIZJXNVVJKISZ-UHFFFAOYSA-N
Canonic Smiles
OCCN(c1ccccc1)C
Isomeric Smiles
CN(CCO)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.579821
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3881478
LogD (pH = 7.4)
1.3911493
Log P
1.3911877
Molar Refractivity
46.7789
Polarizability
17.616182
Polar Surface Area
23.47
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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