Molecule

ID:62999

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClN₃O
Molecular Mass
317.8132
Exact Mass
317.12948996
Charge
0
InChI
InChI=1S/C17H19N3O.ClH/c1-20-11-10-19-16(17(20)21)12-13-2-4-14(5-3-13)15-6-8-18-9-7-15;/h2-9,16,19H,10-12H2,1H3;1H
InChIKey
GAOXJYSTSQESSZ-UHFFFAOYSA-N
Canonic Smiles
CN1CCNC(C1=O)Cc1ccc(cc1)c1ccncc1.Cl
Isomeric Smiles
C1(=O)N(CCNC1Cc1ccc(c2ccncc2)cc1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.09811231
LogD (pH = 7.4)
1.293806
Log P
1.408633
Molar Refractivity
82.5168
Polarizability
33.471127
Polar Surface Area
45.23
Rotatable Bonds
3
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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