Molecule

ID:62641

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClIN₄
Molecular Mass
368.64489
Exact Mass
368.02647228
Charge
0
InChI
InChI=1S/C11H17IN4.ClH/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)3;/h7,9H,4-6H2,1-3H3;1H
InChIKey
SBMGPVQFKALQJB-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC1c1nc(ncc1I)N(C)C.Cl
Isomeric Smiles
n1c(C2N(CCC2)C)c(cnc1N(C)C)I.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6463033
LogD (pH = 7.4)
2.3808618
Log P
2.4061322
Molar Refractivity
75.7662
Polarizability
28.502462
Polar Surface Area
32.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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