Molecule

ID:102795

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃ClN₄O₄S
Molecular Mass
378.87482
Exact Mass
378.11285392
Charge
0
InChI
InChI=1S/C14H22N4O4S.ClH/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16;/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17);1H/t12-;/m0./s1
InChIKey
JIQFFACVQXXHMY-YDALLXLXSA-N
Canonic Smiles
COC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)CCCNC(=N)N.Cl
Isomeric Smiles
Cl.COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1
Calculated Properties
JChem
Acid pKa
10.354648
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-1.8157992
LogD (pH = 7.4)
-1.7515968
Log P
0.23181373
Molar Refractivity
96.9272
Polarizability
34.102673
Polar Surface Area
134.37
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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