Molecule

ID:79369

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-7-5-8(6-12)11(13)10-4-2-3-9(7)10/h5,13H,2-4H2,1H3
InChIKey
SUNGPCACCUIUQE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(C)c2c(c1O)CCC2
Isomeric Smiles
N#Cc1cc(c2c(c1O)CCC2)C
Calculated Properties
JChem
Acid pKa
8.808924
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0466719
LogD (pH = 7.4)
3.0303774
Log P
3.0468836
Molar Refractivity
51.6829
Polarizability
19.166689
Polar Surface Area
44.02
Rotatable Bonds
0
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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