Molecule

ID:9566

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClF₃N₃
Molecular Mass
265.6626496
Exact Mass
265.05935971
Charge
0
InChI
InChI=1S/C10H11ClF3N3/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17/h5-6,15H,1-4H2
InChIKey
RRIPRMGRQRYRRG-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1N1CCNCC1)C(F)(F)F
Isomeric Smiles
c1(cnc(c(c1)Cl)N1CCNCC1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5353151
LogD (pH = 7.4)
1.0518247
Log P
2.4040396
Molar Refractivity
60.1771
Polarizability
21.88854
Polar Surface Area
28.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
2
H Donor
1
Log P
1.91
LOG S
-1.76
Polar Surface Area
28.16
Rotatable Bonds
2
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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