Molecule

ID:123911

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂N₃O₂
Molecular Mass
274.10336
Exact Mass
273.0071819
Charge
0
InChI
InChI=1S/C10H9Cl2N3O2/c11-9-10(12)15(6-14-9)5-8(16)13-4-7-2-1-3-17-7/h1-3,6H,4-5H2,(H,13,16)
InChIKey
YWRKFIODEIXYED-UHFFFAOYSA-N
Canonic Smiles
O=C(Cn1cnc(c1Cl)Cl)NCc1ccco1
Isomeric Smiles
n1(c(c(nc1)Cl)Cl)CC(=O)NCc1occc1
Calculated Properties
JChem
Acid pKa
10.710495
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.89976585
LogD (pH = 7.4)
0.90095973
Log P
0.90116554
Molar Refractivity
64.3885
Polarizability
24.391708
Polar Surface Area
60.06
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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