Molecule

ID:21000

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇Cl₂N₃O₂
Molecular Mass
376.32118
Exact Mass
375.14803248
Charge
0
InChI
InChI=1S/C17H25N3O2.2ClH/c1-14(21)19-10-12-20(13-11-19)15-2-4-16(5-3-15)22-17-6-8-18-9-7-17;;/h2-5,17-18H,6-13H2,1H3;2*1H
InChIKey
PXQHKKNMJHINHR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCN(CC1)c1ccc(cc1)OC1CCNCC1.Cl.Cl
Isomeric Smiles
N1(C(=O)C)CCN(c2ccc(OC3CCNCC3)cc2)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5783093
LogD (pH = 7.4)
-1.7218467
Log P
0.6413905
Molar Refractivity
87.4275
Polarizability
33.676647
Polar Surface Area
44.81
Rotatable Bonds
3
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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