Molecule

ID:73329

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10/h2-5,10,13H,6-9H2,1H3
InChIKey
SRAVSVBVHDLLPO-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1CCNCC1
Isomeric Smiles
N1CCC(c2c(cccc2)OC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2991875
LogD (pH = 7.4)
-0.6091427
Log P
1.9206395
Molar Refractivity
57.9422
Polarizability
22.790617
Polar Surface Area
21.26
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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