Molecule

ID:112509

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-9-6-5-7-10(12(2,3)4)11(9)13-8-14/h5-7H,1-4H3
InChIKey
VCHAHDOWZAYVEM-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1c(C)cccc1C(C)(C)C
Isomeric Smiles
Cc1c(N=C=O)c(ccc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9412792
LogD (pH = 7.4)
3.9412792
Log P
3.9412792
Molar Refractivity
58.8371
Polarizability
21.689852
Polar Surface Area
29.43
Rotatable Bonds
2
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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