Molecule

ID:71588

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClF₃N₃
Molecular Mass
327.7320296
Exact Mass
327.07500977
Charge
0
InChI
InChI=1S/C15H13ClF3N3/c1-22(2)12-6-4-11(5-7-12)20-21-14-9-10(15(17,18)19)3-8-13(14)16/h3-9H,1-2H3/b21-20+
InChIKey
JKABUWOKAVANOP-QZQOTICOSA-N
Canonic Smiles
Clc1ccc(cc1/N=N/c1ccc(cc1)N(C)C)C(F)(F)F
Isomeric Smiles
C(c1cc(/N=N/c2ccc(N(C)C)cc2)c(cc1)Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.9639096
LogD (pH = 7.4)
5.9690113
Log P
5.9690766
Molar Refractivity
85.5841
Polarizability
29.375298
Polar Surface Area
27.96
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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