Molecule

ID:48425

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN₃O
Molecular Mass
241.71724
Exact Mass
241.09818983
Charge
0
InChI
InChI=1S/C11H16ClN3O/c1-15(8-9-2-4-16-5-3-9)11-7-13-6-10(12)14-11/h6-7,9H,2-5,8H2,1H3
InChIKey
NJWORLJAYIGJJZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1cncc(n1)Cl)CC1CCOCC1
Isomeric Smiles
n1c(N(CC2CCOCC2)C)cncc1Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4864087
LogD (pH = 7.4)
1.486411
Log P
1.4864111
Molar Refractivity
65.6459
Polarizability
24.510067
Polar Surface Area
38.25
Rotatable Bonds
3
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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