Molecule

ID:31033

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-4-5-11-8(2)6-10(7-12)9(11)3/h6-7H,4-5H2,1-3H3
InChIKey
GETOENOXCMONOE-UHFFFAOYSA-N
Canonic Smiles
CCCn1c(C)cc(c1C)C=O
Isomeric Smiles
n1(c(c(cc1C)C=O)C)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2677612
LogD (pH = 7.4)
2.2677612
Log P
2.2677612
Molar Refractivity
51.8695
Polarizability
18.903872
Polar Surface Area
22.0
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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