Molecule

ID:135389

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
152.1559689
Exact Mass
152.06036343
Charge
0
InChI
InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1/i9+1
InChIKey
ZGUNAGUHMKGQNY-JEUFFZKHSA-N
Canonic Smiles
[15NH2][C@H](c1ccccc1)C(=O)O
Isomeric Smiles
c1ccc(cc1)[C@H](C(=O)O)[15NH2]
Calculated Properties
JChem
Acid pKa
2.2288363
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4721358
LogD (pH = 7.4)
-1.4860865
Log P
-1.4724004
Molar Refractivity
40.3613
Polarizability
16.044256
Polar Surface Area
63.32
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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