Molecule

ID:77885

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2
InChIKey
ILDXSRFKXABMHH-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccccc1N
Isomeric Smiles
OCCc1c(cccc1)N
Calculated Properties
JChem
Acid pKa
15.901062
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.64891696
LogD (pH = 7.4)
0.6654168
Log P
0.6656313
Molar Refractivity
42.3293
Polarizability
15.692512
Polar Surface Area
46.25
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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