Molecule

ID:62310

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClF₃N₃
Molecular Mass
267.6785296
Exact Mass
267.07500977
Charge
0
InChI
InChI=1S/C10H12F3N3.ClH/c1-6-5-8(10(11,12)13)16-9(15-6)7-3-2-4-14-7;/h5,7,14H,2-4H2,1H3;1H
InChIKey
POBDSXZCNOTEKG-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(nc(c1)C(F)(F)F)C1CCCN1.Cl
Isomeric Smiles
n1c(nc(cc1C(F)(F)F)C)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.588244
LogD (pH = 7.4)
1.1641399
Log P
2.0530806
Molar Refractivity
52.9605
Polarizability
19.648058
Polar Surface Area
37.81
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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