Molecule

ID:77093

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-5,11-14H,6-9H2
InChIKey
DUZLYYVHAOTWSF-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccc1)C1CCNCC1
Isomeric Smiles
N1CCC(CC1)C(c1ccccc1)O
Calculated Properties
JChem
Acid pKa
14.222639
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8510116
LogD (pH = 7.4)
-1.1796622
Log P
1.370022
Molar Refractivity
57.5185
Polarizability
22.806688
Polar Surface Area
32.26
Rotatable Bonds
2
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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