Molecule

ID:19280

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇Cl₂N₃O
Molecular Mass
336.30038
Exact Mass
335.15311786
Charge
0
InChI
InChI=1S/C15H25N3O.2ClH/c1-3-17-8-10-18(11-9-17)15(12-16)13-4-6-14(19-2)7-5-13;;/h4-7,15H,3,8-12,16H2,1-2H3;2*1H
InChIKey
GPMAVWXJOAQMGF-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)OC)N1CCN(CC1)CC.Cl.Cl
Isomeric Smiles
N1(C(c2ccc(cc2)OC)CN)CCN(CC1)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.311805
LogD (pH = 7.4)
-1.2166001
Log P
1.2236822
Molar Refractivity
79.4826
Polarizability
31.446966
Polar Surface Area
41.73
Rotatable Bonds
5
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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