Molecule

ID:48704

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O
Molecular Mass
178.6598
Exact Mass
178.08729079
Charge
0
InChI
InChI=1S/C7H14N2O.ClH/c8-6-7(10)9-4-2-1-3-5-9;/h1-6,8H2;1H
InChIKey
OINZXLOVUKWACU-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N1CCCCC1.Cl
Isomeric Smiles
N1(C(=O)CN)CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1446283
LogD (pH = 7.4)
-1.4605451
Log P
-0.6566999
Molar Refractivity
39.761
Polarizability
15.631624
Polar Surface Area
46.33
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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