Molecule

ID:19604

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO₃
Molecular Mass
277.70298
Exact Mass
277.05057093
Charge
0
InChI
InChI=1S/C14H12ClNO3/c1-18-14(17)9-4-2-5-10(8-9)19-13-11(15)6-3-7-12(13)16/h2-8H,16H2,1H3
InChIKey
GZLIVHOEGTZZJM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)Oc1c(N)cccc1Cl
Isomeric Smiles
c1(Oc2cc(C(=O)OC)ccc2)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.963943
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2518356
LogD (pH = 7.4)
3.252125
Log P
3.2521286
Molar Refractivity
73.8293
Polarizability
28.12168
Polar Surface Area
61.55
Rotatable Bonds
4
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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