Molecule

ID:19210

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇Cl₂N₃S
Molecular Mass
270.22238
Exact Mass
269.05202392
Charge
0
InChI
InChI=1S/C9H15N3S.2ClH/c1-8-11-9(7-13-8)6-12-4-2-10-3-5-12;;/h7,10H,2-6H2,1H3;2*1H
InChIKey
PBIBNOPOMJQDNT-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)CN1CCNCC1.Cl.Cl
Isomeric Smiles
n1c(csc1C)CN1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8770454
LogD (pH = 7.4)
-1.5628645
Log P
0.24204363
Molar Refractivity
54.483
Polarizability
21.391365
Polar Surface Area
28.16
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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