Molecule

ID:43578

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-12-8(11)9(7-10)5-3-2-4-6-9;/h2-7,10H2,1H3;1H
InChIKey
MJTJGUAHTHRKHJ-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCCC1)C(=O)OC.Cl
Isomeric Smiles
NCC1(C(=O)OC)CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7642952
LogD (pH = 7.4)
-0.6966664
Log P
1.2044119
Molar Refractivity
46.5482
Polarizability
18.871552
Polar Surface Area
52.32
Rotatable Bonds
3
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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