Molecule

ID:55441

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClN₃
Molecular Mass
191.70162
Exact Mass
191.11892527
Charge
0
InChI
InChI=1S/C8H17N3.ClH/c1-11-4-2-7(3-5-11)6-8(9)10;/h7H,2-6H2,1H3,(H3,9,10);1H
InChIKey
TXZIIAMCUHSVRN-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)CC(=N)N.Cl
Isomeric Smiles
N1(CCC(CC1)CC(=N)N)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.973191
LogD (pH = 7.4)
-4.459796
Log P
-0.28523284
Molar Refractivity
57.3614
Polarizability
18.12591
Polar Surface Area
53.11
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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