Molecule

ID:24080

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClN₃O
Molecular Mass
247.76488
Exact Mass
247.14514002
Charge
0
InChI
InChI=1S/C11H21N3O.ClH/c15-11(14-9-5-12-6-10-14)13-7-3-1-2-4-8-13;/h12H,1-10H2;1H
InChIKey
DLXOFQSSDHUJNG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCCC1)N1CCNCC1.Cl
Isomeric Smiles
N1(C(=O)N2CCCCCC2)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9813883
LogD (pH = 7.4)
-0.26800984
Log P
0.28987685
Molar Refractivity
60.2278
Polarizability
23.405476
Polar Surface Area
35.58
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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