Molecule

ID:30048

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7,10H2
InChIKey
VPZRVYLJWAJQRE-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1ccccc1N
Isomeric Smiles
c1(c(OCC=C)cccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6839375
LogD (pH = 7.4)
1.7174537
Log P
1.7178984
Molar Refractivity
46.3843
Polarizability
17.438759
Polar Surface Area
35.25
Rotatable Bonds
3
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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