Molecule

ID:62535

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₄O₃S
Molecular Mass
328.43036
Exact Mass
328.15691165
Charge
0
InChI
InChI=1S/C14H24N4O3S/c1-2-22(19,20)18-9-6-11(7-10-18)13-16-17-14(21-13)12-5-3-4-8-15-12/h11-12,15H,2-10H2,1H3
InChIKey
KKWNZTJMEBZZQY-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)N1CCC(CC1)c1nnc(o1)C1CCCCN1
Isomeric Smiles
S(=O)(=O)(N1CCC(c2oc(nn2)C2NCCCC2)CC1)CC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.1323814
LogD (pH = 7.4)
-0.6944743
Log P
-0.51085585
Molar Refractivity
84.3575
Polarizability
32.988327
Polar Surface Area
88.33
Rotatable Bonds
3
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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