Molecule

ID:57191

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-14-11-6-4-5-10(9-11)12-7-2-3-8-13-12/h4-6,9,12-13H,2-3,7-8H2,1H3
InChIKey
ZGWPCADYBFMCJT-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C1CCCCN1
Isomeric Smiles
c1c(cc(cc1)C1NCCCC1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.89915556
LogD (pH = 7.4)
0.13699454
Log P
2.2840567
Molar Refractivity
57.5814
Polarizability
22.865988
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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