Molecule
ID:45963
General Information
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-2-4-10(5-3-1)13-6-7-14-11-8-12-9-11/h1-5,11-12H,6-9H2
InChIKey
NWAPGELSMDJYAR-UHFFFAOYSA-N
Canonic Smiles
N1CC(C1)OCCOc1ccccc1
Isomeric Smiles
N1CC(C1)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6627955
LogD (pH = 7.4)
-0.09039045
Log P
1.2924378
Molar Refractivity
53.9903
Polarizability
21.701061
Polar Surface Area
30.49
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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