Molecule

ID:95334

General Information
Structure
Molecular Formula
C₁₅H₁₃Cl₂FN₂O
Molecular Mass
327.1809232
Exact Mass
326.03889663
Charge
0
InChI
InChI=1S/C15H13Cl2FN2O/c16-9-15(21)19-20(11-5-2-1-3-6-11)10-12-13(17)7-4-8-14(12)18/h1-8H,9-10H2,(H,19,21)
InChIKey
ORNUANKXIDQABB-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NN(c1ccccc1)Cc1c(F)cccc1Cl
Isomeric Smiles
N(c1ccccc1)(Cc1c(cccc1Cl)F)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.803489
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1273923
LogD (pH = 7.4)
4.1272426
Log P
4.1273947
Molar Refractivity
92.3388
Polarizability
31.216688
Polar Surface Area
32.34
Rotatable Bonds
5
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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