Molecule

ID:100980

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO
Molecular Mass
203.28018
Exact Mass
203.13101417
Charge
0
InChI
InChI=1S/C13H17NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3
InChIKey
FEUFNKALUGDEMQ-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc(c1N=C=O)C(C)C)C
Isomeric Smiles
c1(c(C(C)C)cccc1C(C)C)N=C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.37282
LogD (pH = 7.4)
4.37282
Log P
4.37282
Molar Refractivity
63.5116
Polarizability
23.53331
Polar Surface Area
29.43
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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