Molecule

ID:90833

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClN₃O₂
Molecular Mass
249.7377
Exact Mass
249.12440458
Charge
0
InChI
InChI=1S/C10H19N3O2.ClH/c14-10(13-4-6-15-7-5-13)12-9-2-1-3-11-8-9;/h9,11H,1-8H2,(H,12,14);1H/t9-;/m0./s1
InChIKey
FGTLCCRTMPKZIK-FVGYRXGTSA-N
Canonic Smiles
O=C(N1CCOCC1)N[C@H]1CCCNC1.Cl
Isomeric Smiles
N1(C(=O)N[C@@H]2CNCCC2)CCOCC1.Cl
Calculated Properties
JChem
Acid pKa
15.30303
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.985608
LogD (pH = 7.4)
-2.9042203
Log P
-0.810145
Molar Refractivity
56.8428
Polarizability
22.283697
Polar Surface Area
53.6
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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