Molecule

ID:34475

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClN₅O₃
Molecular Mass
291.73462
Exact Mass
291.10981714
Charge
0
InChI
InChI=1S/C10H17N5O3.ClH/c16-10(17)2-1-3-15-9(11-12-13-15)8-14-4-6-18-7-5-14;/h1-8H2,(H,16,17);1H
InChIKey
RXRGFXBNPWDEKB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCn1nnnc1CN1CCOCC1.Cl
Isomeric Smiles
n1(nnnc1CN1CCOCC1)CCCC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.5055463
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
-2.8362358
LogD (pH = 7.4)
-4.2070227
Log P
-2.0977945
Molar Refractivity
76.0178
Polarizability
24.115604
Polar Surface Area
93.37
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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