Molecule

ID:128258

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
InChIKey
YELGFTGWJGBAQU-UHFFFAOYSA-N
Canonic Smiles
CNC(C(=O)c1ccc(cc1)C)C
Isomeric Smiles
Cc1ccc(cc1)C(=O)C(C)NC
Calculated Properties
JChem
LogD (pH = 7.4)
1.39
LogD (pH = 5.5)
-0.35
Log P
2.12
Rotatable Bonds
3
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.05
Polar Surface Area
29.10
Polarizability
20.41
Molar Refractivity
54.13
LOG S
-2.41
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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