Molecule

ID:51604

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-4-8-5-7(2)6-10-9(8)11-3/h4-6H,1H2,2-3H3
InChIKey
WVBQUZUHAQVRQI-UHFFFAOYSA-N
Canonic Smiles
C=Cc1cc(C)cnc1OC
Isomeric Smiles
c1(cnc(c(c1)C=C)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.439622
LogD (pH = 7.4)
2.442447
Log P
2.4424832
Molar Refractivity
45.4053
Polarizability
17.236855
Polar Surface Area
22.12
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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