Molecule

ID:50263

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃O
Molecular Mass
227.69066
Exact Mass
227.08253976
Charge
0
InChI
InChI=1S/C10H13N3O.ClH/c14-10(9-2-1-3-12-8-9)13-6-4-11-5-7-13;/h1-3,8,11H,4-7H2;1H
InChIKey
JXOYDSBPPVOBCZ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1)N1CCNCC1.Cl
Isomeric Smiles
C(=O)(N1CCNCC1)c1cnccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.761309
LogD (pH = 7.4)
-1.0425458
Log P
-0.48236254
Molar Refractivity
53.5283
Polarizability
20.42974
Polar Surface Area
45.23
Rotatable Bonds
1
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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