Molecule

ID:20988

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈Cl₂N₂O
Molecular Mass
301.21152
Exact Mass
300.07961857
Charge
0
InChI
InChI=1S/C14H16N2O.2ClH/c1-3-11-4-2-8-16-14(11)13(5-1)17-12-6-9-15-10-7-12;;/h1-5,8,12,15H,6-7,9-10H2;2*1H
InChIKey
FWGWDPQQPJCLDZ-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Oc1cccc2c1nccc2.Cl.Cl
Isomeric Smiles
c1ccc2c(c1OC1CCNCC1)nccc2.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5913588
LogD (pH = 7.4)
-0.7461037
Log P
1.6169873
Molar Refractivity
66.5989
Polarizability
27.682276
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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