Molecule

ID:62898

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₄O
Molecular Mass
295.2087
Exact Mass
294.10141664
Charge
0
InChI
InChI=1S/C11H18N4O.2ClH/c12-10-7-14-15(8-10)6-5-13-11(16)9-3-1-2-4-9;;/h7-9H,1-6,12H2,(H,13,16);2*1H
InChIKey
QVTCNYBEZWYSAF-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCC1)NCCn1ncc(c1)N.Cl.Cl
Isomeric Smiles
n1n(cc(c1)N)CCNC(=O)C1CCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.591741
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.26293734
LogD (pH = 7.4)
0.26297578
Log P
0.26297626
Molar Refractivity
73.6566
Polarizability
23.500309
Polar Surface Area
72.94
Rotatable Bonds
4
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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