Molecule

ID:38246

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClF₃N₅
Molecular Mass
307.7026296
Exact Mass
307.08115778
Charge
0
InChI
InChI=1S/C11H12F3N5.ClH/c12-11(13,14)9-17-10-16-5-3-8(19(10)18-9)7-2-1-4-15-6-7;/h3,5,7,15H,1-2,4,6H2;1H
InChIKey
UXCPUILQOJYZBG-UHFFFAOYSA-N
Canonic Smiles
FC(c1nn2c(n1)nccc2C1CCCNC1)(F)F.Cl
Isomeric Smiles
c1(nc2n(n1)c(ccn2)C1CNCCC1)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4423071
LogD (pH = 7.4)
-0.4401345
Log P
1.8732932
Molar Refractivity
74.5162
Polarizability
22.709455
Polar Surface Area
55.11
Rotatable Bonds
2
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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