Molecule

ID:62173

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃ClN₄O
Molecular Mass
298.81162
Exact Mass
298.15603906
Charge
0
InChI
InChI=1S/C14H22N4O.ClH/c1-15-13(19)14(5-7-16-8-6-14)4-2-3-12-11-17-9-10-18-12;/h9-11,16H,2-8H2,1H3,(H,15,19);1H
InChIKey
DQZIVPJQIHSHHA-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C1(CCCc2cnccn2)CCNCC1.Cl
Isomeric Smiles
C(=O)(C1(CCCc2nccnc2)CCNCC1)NC.Cl
Calculated Properties
JChem
Acid pKa
15.521135
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.465848
LogD (pH = 7.4)
-2.8606107
Log P
-0.24093899
Molar Refractivity
73.4556
Polarizability
28.880844
Polar Surface Area
66.91
Rotatable Bonds
5
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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