Molecule

ID:18972

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃O
Molecular Mass
239.70136
Exact Mass
239.08253976
Charge
0
InChI
InChI=1S/C11H13N3O.ClH/c12-10-4-1-2-5-11(10)15-9-8-14-7-3-6-13-14;/h1-7H,8-9,12H2;1H
InChIKey
IPDZRKCCPZTZHY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1OCCn1cccn1.Cl
Isomeric Smiles
n1(nccc1)CCOc1c(N)cccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1917883
LogD (pH = 7.4)
1.215913
Log P
1.2162296
Molar Refractivity
70.214
Polarizability
22.14991
Polar Surface Area
53.07
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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