Molecule

ID:89324

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-6(9)7-2-4-8(10)5-3-7/h2-6,10H,9H2,1H3/t6-/m1/s1
InChIKey
CDQPLIAKRDYOCB-ZCFIWIBFSA-N
Canonic Smiles
C[C@H](c1ccc(cc1)O)N
Isomeric Smiles
N[C@@H](c1ccc(cc1)O)C
Calculated Properties
JChem
Acid pKa
9.159995
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7868938
LogD (pH = 7.4)
-0.9519688
Log P
0.45385507
Molar Refractivity
40.9311
Polarizability
16.146418
Polar Surface Area
46.25
Rotatable Bonds
1
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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