Molecule

ID:30689

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅ClN₄S
Molecular Mass
234.7495
Exact Mass
234.07059518
Charge
0
InChI
InChI=1S/C8H14N4S.ClH/c1-12-7(6-4-3-5-9-6)10-11-8(12)13-2;/h6,9H,3-5H2,1-2H3;1H
InChIKey
LCVGCAQTVVXAIO-UHFFFAOYSA-N
Canonic Smiles
CSc1nnc(n1C)C1CCCN1.Cl
Isomeric Smiles
n1(c(nnc1SC)C1NCCC1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1843472
LogD (pH = 7.4)
-0.5421663
Log P
0.6797364
Molar Refractivity
56.2192
Polarizability
21.103695
Polar Surface Area
42.74
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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