Molecule

ID:85088

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNO₃
Molecular Mass
207.65466
Exact Mass
207.06622099
Charge
0
InChI
InChI=1S/C8H14ClNO3/c1-2-3-4-6(8(12)13)10-7(11)5-9/h6H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKey
NTOGPWIZAGBRID-ZCFIWIBFSA-N
Canonic Smiles
CCCC[C@H](C(=O)O)NC(=O)CCl
Isomeric Smiles
N([C@@H](C(=O)O)CCCC)C(=O)CCl
Calculated Properties
JChem
Acid pKa
3.932165
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.3855684
LogD (pH = 7.4)
-2.00751
Log P
1.1891388
Molar Refractivity
48.4203
Polarizability
19.153051
Polar Surface Area
66.4
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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