Molecule

ID:55273

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉Cl₂N₃
Molecular Mass
264.19466
Exact Mass
263.09560298
Charge
0
InChI
InChI=1S/C11H17N3.2ClH/c12-11-3-7-14(8-4-11)9-10-1-5-13-6-2-10;;/h1-2,5-6,11H,3-4,7-9,12H2;2*1H
InChIKey
IOIZTSVQPLGKBE-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1ccncc1.Cl.Cl
Isomeric Smiles
N1(Cc2ccncc2)CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.0975075
LogD (pH = 7.4)
-3.1480625
Log P
-0.09185205
Molar Refractivity
57.8256
Polarizability
22.81689
Polar Surface Area
42.15
Rotatable Bonds
2
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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