Molecule

ID:62609

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃O₂S
Molecular Mass
275.75506
Exact Mass
275.04952538
Charge
0
InChI
InChI=1S/C10H14ClN3O2S/c1-17(15,16)14-6-2-3-8(7-14)9-10(11)13-5-4-12-9/h4-5,8H,2-3,6-7H2,1H3
InChIKey
OOBSMECZUMLXPN-UHFFFAOYSA-N
Canonic Smiles
Clc1nccnc1C1CCCN(C1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CC(c2c(nccn2)Cl)CCC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.14204074
LogD (pH = 7.4)
-0.14204058
Log P
-0.14204058
Molar Refractivity
65.6463
Polarizability
26.220667
Polar Surface Area
63.16
Rotatable Bonds
1
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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