Molecule

ID:34541

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂O₂
Molecular Mass
273.19988
Exact Mass
272.10583331
Charge
0
InChI
InChI=1S/C10H20N2O2.2ClH/c1-8(2)10(3,9(13)14)12-6-4-11-5-7-12;;/h8,11H,4-7H2,1-3H3,(H,13,14);2*1H/t10-;;/m0../s1
InChIKey
YLSZJDUVQXGCSY-XRIOVQLTSA-N
Canonic Smiles
CC([C@@](C(=O)O)(N1CCNCC1)C)C.Cl.Cl
Isomeric Smiles
N1(CCNCC1)[C@](C(=O)O)(C(C)C)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
1.9938415
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.9793947
LogD (pH = 7.4)
-1.6990625
Log P
-1.6960251
Molar Refractivity
55.0309
Polarizability
21.98793
Polar Surface Area
52.57
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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