Molecule

ID:15773

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂S
Molecular Mass
210.33902
Exact Mass
210.11906959
Charge
0
InChI
InChI=1S/C11H18N2S/c12-7-10-3-1-5-13(8-10)9-11-4-2-6-14-11/h2,4,6,10H,1,3,5,7-9,12H2
InChIKey
ZCDGCAIFQPSTRB-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCN(C1)Cc1cccs1
Isomeric Smiles
C1(CCCN(C1)Cc1cccs1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.293792
LogD (pH = 7.4)
-2.1238444
Log P
1.5408592
Molar Refractivity
61.5916
Polarizability
24.193838
Polar Surface Area
29.26
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
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Molecule Details
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References
Bioactivity
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