Molecule

ID:75725

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClNO₄
Molecular Mass
263.71792
Exact Mass
263.09243574
Charge
0
InChI
InChI=1S/C7H14ClN.C4H4O4/c8-4-3-7-9-5-1-2-6-9;5-3(6)1-2-4(7)8/h1-7H2;1-2H,(H,5,6)(H,7,8)
InChIKey
NJIZZBHQBTVOSP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C/C(=O)O.ClCCCN1CCCC1
Isomeric Smiles
N1(CCCC1)CCCCl.O=C(/C=C/C(=O)O)O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.0180855
LogD (pH = 7.4)
-0.6157533
Log P
1.3204166
Molar Refractivity
41.7378
Polarizability
16.235283
Polar Surface Area
3.24
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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