Molecule

ID:28362

General Information
Structure
Molecular Formula
C₁₂H₂₀Cl₂N₂
Molecular Mass
263.2066
Exact Mass
262.10035401
Charge
0
InChI
InChI=1S/C12H18N2.2ClH/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14;;/h5-8H,1-4,9-10,13H2;2*1H
InChIKey
MRAXJEMIIZLVLR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCCCCC1.Cl.Cl
Isomeric Smiles
N1(c2ccc(N)cc2)CCCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.44115075
LogD (pH = 7.4)
2.099407
Log P
2.5472984
Molar Refractivity
61.93
Polarizability
22.949396
Polar Surface Area
29.26
Rotatable Bonds
1
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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