Molecule

ID:16152

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-11(2)7-9-3-5-10(8-12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey
HQDFSQZWAINMKA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)CN(C)C
Isomeric Smiles
c1c(ccc(c1)C=O)CN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.7803797
LogD (pH = 7.4)
0.9757841
Log P
1.6271449
Molar Refractivity
51.1847
Polarizability
19.282265
Polar Surface Area
20.31
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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