Molecule

ID:123930

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c12-8-9-5-6-11(7-9)10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKey
ZFIRIEJTBQEVHI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccn(c1)C1CCCC1
Isomeric Smiles
n1(cc(cc1)C=O)C1CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.34401
LogD (pH = 7.4)
2.34401
Log P
2.34401
Molar Refractivity
48.7107
Polarizability
18.32989
Polar Surface Area
22.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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