Molecule

ID:39935

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂S
Molecular Mass
244.78408
Exact Mass
244.08009723
Charge
0
InChI
InChI=1S/C11H17ClN2S/c1-2-9-5-3-4-6-14(9)8-10-7-13-11(12)15-10/h7,9H,2-6,8H2,1H3
InChIKey
FEIGSLIOAQWZLT-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1Cc1cnc(s1)Cl
Isomeric Smiles
c1(ncc(s1)CN1C(CC)CCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2774459
LogD (pH = 7.4)
2.9673245
Log P
3.4093528
Molar Refractivity
65.7039
Polarizability
25.628042
Polar Surface Area
16.13
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
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References
Bioactivity
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