Molecule

ID:77947

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5,9H2
InChIKey
GKULNTLNUHOMGD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)COC2
Isomeric Smiles
O1Cc2c(ccc(c2)N)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7568706
LogD (pH = 7.4)
0.7711389
Log P
0.7713239
Molar Refractivity
40.8801
Polarizability
15.101308
Polar Surface Area
35.25
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
No Data Available
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Molecule Details
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References
Bioactivity
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