Molecule

ID:33160

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClN₃O
Molecular Mass
295.80768
Exact Mass
295.14514002
Charge
0
InChI
InChI=1S/C15H21N3O.ClH/c1-15(2,3)11-4-5-13-12(10-11)17-14(19-13)18-8-6-16-7-9-18;/h4-5,10,16H,6-9H2,1-3H3;1H
InChIKey
YDURRBZMWUUCTA-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc2c(c1)nc(o2)N1CCNCC1)(C)C.Cl
Isomeric Smiles
c1(nc2c(o1)ccc(c2)C(C)(C)C)N1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.24795608
LogD (pH = 7.4)
1.884423
Log P
3.121287
Molar Refractivity
76.0463
Polarizability
30.423641
Polar Surface Area
41.3
Rotatable Bonds
2
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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