Molecule

ID:31070

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃Cl₃N₄
Molecular Mass
353.71822
Exact Mass
352.0988298
Charge
0
InChI
InChI=1S/C14H20N4.3ClH/c1-17-13-6-5-11(15)9-12(13)16-14(17)10-18-7-3-2-4-8-18;;;/h5-6,9H,2-4,7-8,10,15H2,1H3;3*1H
InChIKey
BMUHIYVDHSOYHS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(n2C)CN1CCCCC1.Cl.Cl.Cl
Isomeric Smiles
c1(nc2c(n1C)ccc(c2)N)CN1CCCCC1.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.62452126
LogD (pH = 7.4)
1.0160155
Log P
1.5191835
Molar Refractivity
74.5773
Polarizability
29.420315
Polar Surface Area
47.08
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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