Molecule

ID:47072

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆Cl₂N₂O
Molecular Mass
299.19564
Exact Mass
298.0639685
Charge
0
InChI
InChI=1S/C14H15ClN2O.ClH/c15-12-3-4-13(14-11(12)2-1-7-17-14)18-10-5-8-16-9-6-10;/h1-4,7,10,16H,5-6,8-9H2;1H
InChIKey
SKMVLAOSVWMVHI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccn2)OC1CCNCC1.Cl
Isomeric Smiles
c12c(c(ccc1OC1CCNCC1)Cl)cccn2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9865123
LogD (pH = 7.4)
-0.14204891
Log P
2.2210321
Molar Refractivity
71.4037
Polarizability
29.502478
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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