Molecule

ID:48708

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅ClN₂O
Molecular Mass
190.6705
Exact Mass
190.08729079
Charge
0
InChI
InChI=1S/C8H14N2O.ClH/c1-3-5-10(6-4-2)8(11)7-9;/h3-4H,1-2,5-7,9H2;1H
InChIKey
XOGKDPDCVSJYBP-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N(CC=C)CC=C.Cl
Isomeric Smiles
C(=O)(N(CC=C)CC=C)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.531995
LogD (pH = 7.4)
-0.84782434
Log P
-0.044566393
Molar Refractivity
45.9444
Polarizability
17.717405
Polar Surface Area
46.33
Rotatable Bonds
5
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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