Molecule

ID:62944

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)14(19)15(10-6-12-17-15)9-5-8-13-7-3-4-11-16-13;;/h3-4,7,11,17H,5-6,8-10,12H2,1-2H3;2*1H
InChIKey
PDAUPMAGTNDWLU-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C1(CCCc2ccccn2)CCCN1)C.Cl.Cl
Isomeric Smiles
C(=O)(C1(NCCC1)CCCc1ncccc1)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3779862
LogD (pH = 7.4)
-1.4200864
Log P
1.1777412
Molar Refractivity
75.6335
Polarizability
29.77481
Polar Surface Area
45.23
Rotatable Bonds
5
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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