Molecule

ID:111912

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-10(2)7-8-3-5-9(11)6-4-8/h3-6,11H,7H2,1-2H3
InChIKey
NFVPEIKDMMISQO-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccc(cc1)O)C
Isomeric Smiles
CN(C)Cc1ccc(O)cc1
Calculated Properties
JChem
Acid pKa
9.588801
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.501714
LogD (pH = 7.4)
0.15498433
Log P
1.2579323
Molar Refractivity
46.5816
Polarizability
17.99256
Polar Surface Area
23.47
Rotatable Bonds
2
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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