Molecule

ID:120284

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₃
Molecular Mass
256.25668
Exact Mass
256.08479225
Charge
0
InChI
InChI=1S/C14H12N2O3/c17-13(11-7-4-8-15-9-11)16-12(14(18)19)10-5-2-1-3-6-10/h1-9,12H,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKey
BUSIYSSCUWXQNM-LBPRGKRZSA-N
Canonic Smiles
O=C(c1cccnc1)N[C@@H](c1ccccc1)C(=O)O
Isomeric Smiles
N(C(=O)c1cnccc1)[C@H](C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.1115556
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.9101148
LogD (pH = 7.4)
-2.1742127
Log P
0.5444044
Molar Refractivity
68.3187
Polarizability
26.06889
Polar Surface Area
79.29
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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