Molecule

ID:62843

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClN₃
Molecular Mass
241.7603
Exact Mass
241.13457534
Charge
0
InChI
InChI=1S/C12H19N3.ClH/c1-15(2)12-7-3-6-11(14-12)10-5-4-8-13-9-10;/h3,6-7,10,13H,4-5,8-9H2,1-2H3;1H
InChIKey
IUMKTVOSSGMREZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc(n1)C1CCCNC1)C.Cl
Isomeric Smiles
n1c(N(C)C)cccc1C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5206068
LogD (pH = 7.4)
-0.48993427
Log P
1.8489302
Molar Refractivity
63.5123
Polarizability
24.18869
Polar Surface Area
28.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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