Molecule

ID:53690

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11/h1-5,11-12H,6-9H2
InChIKey
CWBMYKUPMLRKQK-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)OCc1ccccc1
Isomeric Smiles
N1CC(CC1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8013366
LogD (pH = 7.4)
-1.4199975
Log P
1.432821
Molar Refractivity
52.9161
Polarizability
21.036253
Polar Surface Area
21.26
Rotatable Bonds
3
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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