Molecule

ID:50396

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)8-13-9-11-6-12-7-11/h1-5,11-12H,6-9H2
InChIKey
XHFBFJMIBLNOOH-UHFFFAOYSA-N
Canonic Smiles
O(Cc1ccccc1)CC1CNC1
Isomeric Smiles
N1CC(C1)COCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8640492
LogD (pH = 7.4)
-1.390483
Log P
1.36688
Molar Refractivity
52.9379
Polarizability
21.036257
Polar Surface Area
21.26
Rotatable Bonds
4
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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