Molecule

ID:134183

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O₄
Molecular Mass
298.7222
Exact Mass
298.07203465
Charge
0
InChI
InChI=1S/C13H14N2O4.ClH/c1-7-4-12(17)19-11-5-8(2-3-9(7)11)15-13(18)10(14)6-16;/h2-5,10,16H,6,14H2,1H3,(H,15,18);1H/t10-;/m0./s1
InChIKey
RUMJTWWLPLESCZ-PPHPATTJSA-N
Canonic Smiles
OC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N.Cl
Isomeric Smiles
Cc1cc(=O)oc2c1ccc(c2)NC(=O)[C@H](CO)N.Cl
Calculated Properties
JChem
Acid pKa
12.950403
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.2148244
LogD (pH = 7.4)
-0.54967636
Log P
-0.08181098
Molar Refractivity
70.0909
Polarizability
26.442429
Polar Surface Area
101.65
Rotatable Bonds
3
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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