Molecule

ID:34665

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5H,6-7H2,1H3
InChIKey
OIQRGAQXQLASRC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1(CC1)C#N
Isomeric Smiles
C1(CC1)(C#N)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1465464
LogD (pH = 7.4)
2.1465464
Log P
2.1465464
Molar Refractivity
50.0814
Polarizability
19.319246
Polar Surface Area
33.02
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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