Molecule

ID:104241

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁ClN₂O₃
Molecular Mass
264.74904
Exact Mass
264.12407022
Charge
0
InChI
InChI=1S/C11H20N2O3.ClH/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16;/h7-9H,3-6,12H2,1-2H3,(H,15,16);1H
InChIKey
GZEPUBCBTCSTKP-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(=O)N1CCCC1C(=O)O)N)C.Cl
Isomeric Smiles
Cl.CC(C)CC(N)C(=O)N1CCCC1C(=O)O
Calculated Properties
JChem
Acid pKa
3.9154751
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.8583293
LogD (pH = 7.4)
-1.885646
Log P
-1.8530816
Molar Refractivity
59.1574
Polarizability
23.549238
Polar Surface Area
83.63
Rotatable Bonds
4
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
References
Bioactivity
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