Molecule

ID:121543

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClN₃O
Molecular Mass
243.73312
Exact Mass
243.11383989
Charge
0
InChI
InChI=1S/C11H17N3O.ClH/c12-7-3-1-2-4-11(15)14-10-5-8-13-9-6-10;/h5-6,8-9H,1-4,7,12H2,(H,13,14,15);1H
InChIKey
SRFKMPNQDCPOFU-UHFFFAOYSA-N
Canonic Smiles
NCCCCCC(=O)Nc1ccncc1.Cl
Isomeric Smiles
C(=O)(Nc1ccncc1)CCCCCN.Cl
Calculated Properties
JChem
Acid pKa
13.58929
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.8694017
LogD (pH = 7.4)
-2.127305
Log P
0.4839652
Molar Refractivity
60.7802
Polarizability
23.199022
Polar Surface Area
68.01
Rotatable Bonds
6
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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