Molecule

ID:46817

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N₃O
Molecular Mass
278.17818
Exact Mass
277.07486754
Charge
0
InChI
InChI=1S/C11H16ClN3O.ClH/c12-10-7-13-8-11(15-10)16-6-4-9-3-1-2-5-14-9;/h7-9,14H,1-6H2;1H
InChIKey
VUORNDPUTMBJJC-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(n1)OCCC1CCCCN1.Cl
Isomeric Smiles
n1c(Cl)cncc1OCCC1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8209348
LogD (pH = 7.4)
-1.2280008
Log P
1.4045986
Molar Refractivity
63.789
Polarizability
24.876465
Polar Surface Area
47.04
Rotatable Bonds
4
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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