Molecule

ID:16976

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5H,10H2,1H3
InChIKey
VMXJEZLMUVFOQU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2c(o1)c(N)ccc2
Isomeric Smiles
c12c(oc(c1)C)c(ccc2)N
Calculated Properties
JChem
Acid pKa
18.773478
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5028429
LogD (pH = 7.4)
1.5030025
Log P
1.5030046
Molar Refractivity
44.7492
Polarizability
17.637959
Polar Surface Area
39.16
Rotatable Bonds
0
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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