Molecule

ID:50938

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClN₃O₃S
Molecular Mass
285.7914
Exact Mass
285.0913902
Charge
0
InChI
InChI=1S/C9H19N3O3S.ClH/c10-9-1-3-11(4-2-9)16(13,14)12-5-7-15-8-6-12;/h9H,1-8,10H2;1H
InChIKey
AMRIIFMHKXGOJW-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)S(=O)(=O)N1CCOCC1.Cl
Isomeric Smiles
S(=O)(=O)(N1CCC(CC1)N)N1CCOCC1.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-5.121679
LogD (pH = 7.4)
-4.551321
Log P
-2.1039224
Molar Refractivity
60.8847
Polarizability
24.973068
Polar Surface Area
75.87
Rotatable Bonds
0
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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