Molecule

ID:19334

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3
InChIKey
HCBLZPKEGFYHDN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1CCCN1
Isomeric Smiles
N1C(c2ccc(cc2)OC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3963169
LogD (pH = 7.4)
-1.0712128
Log P
1.8394879
Molar Refractivity
52.9804
Polarizability
21.020077
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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