Molecule

ID:7897

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2
InChIKey
QXHDYMUPPXAMPQ-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccc(cc1)N
Isomeric Smiles
C(c1ccc(cc1)N)CO
Calculated Properties
JChem
Acid pKa
15.956967
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.6089778
LogD (pH = 7.4)
0.66486955
Log P
0.6656313
Molar Refractivity
42.3293
Polarizability
15.691588
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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