Molecule

ID:17856

General Information
Structure
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-7(2)11-8(3)5-10(6-12)9(11)4/h5-7H,1-4H3
InChIKey
UNLWGQOETWJJKI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)C(C)C)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.161814
LogD (pH = 7.4)
2.161814
Log P
2.161814
Molar Refractivity
51.7643
Polarizability
18.903656
Polar Surface Area
22.0
Rotatable Bonds
2
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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