Molecule

ID:62379

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇ClN₄O₂
Molecular Mass
260.72058
Exact Mass
260.10400348
Charge
0
InChI
InChI=1S/C10H16N4O2.ClH/c11-8-4-13-14(6-8)7-10(15)12-5-9-2-1-3-16-9;/h4,6,9H,1-3,5,7,11H2,(H,12,15);1H
InChIKey
PVNWIIUGVOTCQZ-UHFFFAOYSA-N
Canonic Smiles
O=C(Cn1ncc(c1)N)NCC1CCCO1.Cl
Isomeric Smiles
n1(ncc(c1)N)CC(=O)NCC1OCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.034801
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1145468
LogD (pH = 7.4)
-1.1145147
Log P
-1.1145144
Molar Refractivity
70.72
Polarizability
22.394485
Polar Surface Area
82.17
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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