Molecule

ID:52013

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂S
Molecular Mass
170.27516
Exact Mass
170.08776946
Charge
0
InChI
InChI=1S/C8H14N2S/c11-8-9-4-7-10-5-2-1-3-6-10/h1-7H2
InChIKey
KMTVCPOROYMLTN-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCN1CCCCC1
Isomeric Smiles
C(CN1CCCCC1)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.7796911
LogD (pH = 7.4)
0.9920296
Log P
1.9386607
Molar Refractivity
51.4902
Polarizability
20.154793
Polar Surface Area
15.6
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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