Molecule

ID:92105

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3
InChIKey
WUWBDQJTQTVBSQ-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(cc1)C(C)(C)C
Isomeric Smiles
N(=C=O)c1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4278576
LogD (pH = 7.4)
3.4278576
Log P
3.4278576
Molar Refractivity
53.7959
Polarizability
19.921425
Polar Surface Area
29.43
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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