Molecule

ID:121143

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN₃O
Molecular Mass
241.71724
Exact Mass
241.09818983
Charge
0
InChI
InChI=1S/C11H15N3O.ClH/c1-13-5-7-14(8-6-13)11-10(9-15)3-2-4-12-11;/h2-4,9H,5-8H2,1H3;1H
InChIKey
RULZQCJRDAOTIR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccnc1N1CCN(CC1)C.Cl
Isomeric Smiles
c1(N2CCN(CC2)C)c(C=O)cccn1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.14739135
LogD (pH = 7.4)
0.95093703
Log P
1.0176967
Molar Refractivity
61.2773
Polarizability
22.46979
Polar Surface Area
36.44
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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