Molecule

ID:33105

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClN₃O
Molecular Mass
309.83426
Exact Mass
309.16079008
Charge
0
InChI
InChI=1S/C16H23N3O.ClH/c1-16(2,3)11-4-5-14-13(10-11)18-15(20-14)19-8-6-12(17)7-9-19;/h4-5,10,12H,6-9,17H2,1-3H3;1H
InChIKey
LPAFRLLYKZOQRG-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)c1nc2c(o1)ccc(c2)C(C)(C)C.Cl
Isomeric Smiles
c1(nc2c(o1)ccc(c2)C(C)(C)C)N1CCC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.15107642
LogD (pH = 7.4)
0.38319716
Log P
2.8683934
Molar Refractivity
80.6727
Polarizability
32.269146
Polar Surface Area
55.29
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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