Molecule
ID:45971
General Information
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-2-5-11(6-3-1)7-4-8-14-12-9-13-10-12/h1-3,5-6,12-13H,4,7-10H2
InChIKey
OYMDGHCTSJACIM-UHFFFAOYSA-N
Canonic Smiles
C(OC1CNC1)CCc1ccccc1
Isomeric Smiles
N1CC(C1)OCCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8492242
LogD (pH = 7.4)
0.7231022
Log P
2.106091
Molar Refractivity
57.4067
Polarizability
22.808058
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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