Molecule

ID:10498

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-8-10(7-13)9-5-3-4-6-11(9)12(8)2/h3-7H,1-2H3
InChIKey
HYGUWHAXRMPCCP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)C
Isomeric Smiles
c1ccc2c(c1)c(c(n2C)C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2077475
LogD (pH = 7.4)
2.2077475
Log P
2.2077475
Molar Refractivity
53.7749
Polarizability
21.000368
Polar Surface Area
22.0
Rotatable Bonds
1
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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