Molecule

ID:103451

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
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-/m0/s1
InChIKey
ZGUNAGUHMKGQNY-ZETCQYMHSA-N
Canonic Smiles
N[C@@H](c1ccccc1)C(=O)O
Isomeric Smiles
N[C@H](C(=O)O)c1ccccc1
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
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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