Molecule

ID:124584

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-8-5-11(10(2,3)4)6-9(8)7-12/h5-7H,1-4H3
InChIKey
FFMNVAFTMOIQHB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(cc1C)C(C)(C)C
Isomeric Smiles
n1(cc(c(c1)C)C=O)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5566893
LogD (pH = 7.4)
2.5566893
Log P
2.5566893
Molar Refractivity
51.1443
Polarizability
18.982264
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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