Molecule

ID:62791

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅Cl₂N₃O
Molecular Mass
334.2845
Exact Mass
333.1374678
Charge
0
InChI
InChI=1S/C15H23N3O.2ClH/c1-18(2)15(19)7-6-13-4-3-5-14(17-13)12-8-10-16-11-9-12;;/h3-5,12,16H,6-11H2,1-2H3;2*1H
InChIKey
IEILBYJMGNZXQX-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)CCc1cccc(n1)C1CCNCC1.Cl.Cl
Isomeric Smiles
n1c(C2CCNCC2)cccc1CCC(=O)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6314406
LogD (pH = 7.4)
-1.901675
Log P
0.58716387
Molar Refractivity
76.0246
Polarizability
29.771833
Polar Surface Area
45.23
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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