Molecule

ID:20986

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Cl₂N₂O
Molecular Mass
249.13696
Exact Mass
248.04831844
Charge
0
InChI
InChI=1S/C10H13ClN2O.ClH/c11-10-9(2-1-5-13-10)14-8-3-6-12-7-4-8;/h1-2,5,8,12H,3-4,6-7H2;1H
InChIKey
CRUPYYKRWWTUMI-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1OC1CCNCC1.Cl
Isomeric Smiles
c1(c(OC2CCNCC2)cccn1)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1415331
LogD (pH = 7.4)
-1.2971967
Log P
1.0658822
Molar Refractivity
56.3868
Polarizability
22.070778
Polar Surface Area
34.15
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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