Molecule

ID:55418

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄ClN₃
Molecular Mass
305.84556
Exact Mass
305.16587546
Charge
0
InChI
InChI=1S/C17H23N3.ClH/c1-17(2,3)12-7-9-13(10-8-12)20-16-6-4-5-15(18)14(16)11-19-20;/h7-11,15H,4-6,18H2,1-3H3;1H
InChIKey
SSVAYYOBEDCBNU-UHFFFAOYSA-N
Canonic Smiles
NC1CCCc2c1cnn2c1ccc(cc1)C(C)(C)C.Cl
Isomeric Smiles
C1CCc2c(C1N)cnn2c1ccc(cc1)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5135335
LogD (pH = 7.4)
1.5782372
Log P
3.4827757
Molar Refractivity
83.7723
Polarizability
32.82417
Polar Surface Area
43.84
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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