Molecule

ID:55844

General Information
Structure
Molecular Formula
C₁₄H₂₀Cl₂N₄
Molecular Mass
315.2414
Exact Mass
314.10650202
Charge
0
InChI
InChI=1S/C14H18N4.2ClH/c1-2-5-12(6-3-1)10-18-11-16-17-14(18)13-7-4-8-15-9-13;;/h1-3,5-6,11,13,15H,4,7-10H2;2*1H
InChIKey
YXSQHNQASRYTTG-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)c1nncn1Cc1ccccc1.Cl.Cl
Isomeric Smiles
C1CNCC(C1)c1n(cnn1)Cc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9594558
LogD (pH = 7.4)
-0.92875296
Log P
1.2250234
Molar Refractivity
73.4566
Polarizability
27.547035
Polar Surface Area
42.74
Rotatable Bonds
3
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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