Molecule

ID:20893

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-10-4-6-11(7-5-10)14-12-3-2-8-13-9-12/h4-7,12-13H,2-3,8-9H2,1H3
InChIKey
XLKBIUMAMUGELV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)OC1CCCNC1
Isomeric Smiles
N1CC(Oc2ccc(cc2)C)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7400024
LogD (pH = 7.4)
0.36937648
Log P
2.430157
Molar Refractivity
57.498
Polarizability
22.790836
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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