Molecule

ID:23995

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈Cl₂N₂O₂
Molecular Mass
327.29032
Exact Mass
326.15278351
Charge
0
InChI
InChI=1S/C14H26N2O2.2ClH/c1-2-7-15-9-5-13(6-10-15)16-8-3-4-12(11-16)14(17)18;;/h12-13H,2-11H2,1H3,(H,17,18);2*1H
InChIKey
WNFNORUYLOTJFH-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCC(CC1)N1CCCC(C1)C(=O)O.Cl.Cl
Isomeric Smiles
N1(C2CCN(CC2)CCC)CC(CCC1)C(=O)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
3.6621065
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.553415
LogD (pH = 7.4)
-1.8552049
Log P
-1.4353079
Molar Refractivity
72.9397
Polarizability
28.620644
Polar Surface Area
43.78
Rotatable Bonds
4
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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