Molecule

ID:48674

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClN₂
Molecular Mass
184.66592
Exact Mass
184.07672611
Charge
0
InChI
InChI=1S/C9H13ClN2/c1-3-12(4-2)9-7-5-6-8(10)11-9/h5-7H,3-4H2,1-2H3
InChIKey
VQNKGKIYJFALNH-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(n1)Cl)CC
Isomeric Smiles
n1c(N(CC)CC)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9954562
LogD (pH = 7.4)
2.9959068
Log P
2.9959126
Molar Refractivity
54.0065
Polarizability
19.862144
Polar Surface Area
16.13
Rotatable Bonds
3
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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