Molecule

ID:101043

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅ClN₂O
Molecular Mass
190.6705
Exact Mass
190.08729079
Charge
0
InChI
InChI=1S/C8H14N2O.ClH/c1-10-7-2-3-8(10)5-6(4-7)9-11;/h7-8,11H,2-5H2,1H3;1H
InChIKey
XEGNNKBCZMXBOA-UHFFFAOYSA-N
Canonic Smiles
O/N=C/1\CC2CCC(C1)N2C.Cl
Isomeric Smiles
N1(C2C/C(=N/O)/CC1CC2)C.Cl
Calculated Properties
JChem
Acid pKa
11.518511
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.679125
LogD (pH = 7.4)
-1.4002553
Log P
0.7079442
Molar Refractivity
43.1666
Polarizability
16.954247
Polar Surface Area
35.83
Rotatable Bonds
0
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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