Molecule

ID:16384

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-10-2-4-11(5-3-10)12(14)6-8-13-9-7-12/h2-5,13-14H,6-9H2,1H3
InChIKey
MEFDFYOJQUOHCR-UHFFFAOYSA-N
Canonic Smiles
OC1(CCNCC1)c1ccc(cc1)C
Isomeric Smiles
C1(c2ccc(cc2)C)(CCNCC1)O
Calculated Properties
JChem
Acid pKa
14.026957
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8708438
LogD (pH = 7.4)
-0.7032553
Log P
1.2868444
Molar Refractivity
57.9611
Polarizability
22.72654
Polar Surface Area
32.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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