Molecule

ID:120587

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClN₃
Molecular Mass
301.8138
Exact Mass
301.13457534
Charge
0
InChI
InChI=1S/C17H20ClN3/c18-17-4-2-1-3-14(17)13-20-9-11-21(12-10-20)16-7-5-15(19)6-8-16/h1-8H,9-13,19H2
InChIKey
YMIGILDAQDURHQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)Cc1ccccc1Cl
Isomeric Smiles
N1(c2ccc(N)cc2)CCN(Cc2c(Cl)cccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2552972
LogD (pH = 7.4)
3.1584146
Log P
3.4280012
Molar Refractivity
90.6545
Polarizability
34.0761
Polar Surface Area
32.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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