Molecule

ID:34306

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-8-6-10(11(2)3)5-4-9(8)7-12/h4-7H,1-3H3
InChIKey
XZWMCPUAUNHGPF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1C)N(C)C
Isomeric Smiles
c1(cc(ccc1C=O)N(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3010933
LogD (pH = 7.4)
2.3071358
Log P
2.3072133
Molar Refractivity
52.1118
Polarizability
18.811377
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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