Molecule

ID:118279

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃S
Molecular Mass
209.3112
Exact Mass
209.0986685
Charge
0
InChI
InChI=1S/C10H15N3S/c1-2-7(1)9-12-13-10(14-9)8-3-5-11-6-4-8/h7-8,11H,1-6H2
InChIKey
HSUASORYCIOYDO-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1nnc(s1)C1CC1
Isomeric Smiles
s1c(nnc1C1CCNCC1)C1CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.329363
LogD (pH = 7.4)
-1.4825152
Log P
0.87779546
Molar Refractivity
58.1014
Polarizability
21.892921
Polar Surface Area
37.81
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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