Molecule

ID:30112

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₅ClN₂O₃S
Molecular Mass
300.8458
Exact Mass
300.12744135
Charge
0
InChI
InChI=1S/C11H24N2O3S.ClH/c1-3-13(4-2)7-5-6-12-10-8-17(15,16)9-11(10)14;/h10-12,14H,3-9H2,1-2H3;1H
InChIKey
UBLTXHMIKRDMJM-UHFFFAOYSA-N
Canonic Smiles
CCN(CCCNC1CS(=O)(=O)CC1O)CC.Cl
Isomeric Smiles
S1(=O)(=O)CC(C(C1)O)NCCCN(CC)CC.Cl
Calculated Properties
JChem
Acid pKa
13.7207575
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-5.3584867
LogD (pH = 7.4)
-2.9154425
Log P
-1.3108693
Molar Refractivity
68.3096
Polarizability
28.12888
Polar Surface Area
69.64
Rotatable Bonds
7
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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