Molecule

ID:62545

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅Cl₂N₃O
Molecular Mass
382.3273
Exact Mass
381.1374678
Charge
0
InChI
InChI=1S/C19H23N3O.2ClH/c1-2-11-22-12-10-21-18(19(22)23)13-15-5-7-16(8-6-15)17-4-3-9-20-14-17;;/h3-9,14,18,21H,2,10-13H2,1H3;2*1H
InChIKey
RBOBVGLAOPPYFY-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCNC(C1=O)Cc1ccc(cc1)c1cccnc1.Cl.Cl
Isomeric Smiles
C1(=O)N(CCNC1Cc1ccc(c2cnccc2)cc1)CCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.85029745
LogD (pH = 7.4)
2.1756864
Log P
2.2879634
Molar Refractivity
91.7894
Polarizability
37.166557
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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