Molecule

ID:81513

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN₃O₃
Molecular Mass
267.6684
Exact Mass
267.04106888
Charge
0
InChI
InChI=1S/C11H10ClN3O3/c1-7-8(10(12)15(2)14-7)6-13-18-11(16)9-4-3-5-17-9/h3-6H,1-2H3
InChIKey
LYVCDMUMMYDIHA-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1/C=N/OC(=O)c1ccco1)Cl)C
Isomeric Smiles
n1(c(c(c(n1)C)/C=N/OC(=O)c1ccco1)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.830676
LogD (pH = 7.4)
1.8308257
Log P
1.8308276
Molar Refractivity
76.9774
Polarizability
24.335344
Polar Surface Area
69.62
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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