Molecule

ID:127257

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁ClN₄
Molecular Mass
304.81774
Exact Mass
304.14547437
Charge
0
InChI
InChI=1S/C16H21ClN4/c1-19-13-14(12-18-19)6-7-20-8-10-21(11-9-20)16-5-3-2-4-15(16)17/h2-5,12-13H,6-11H2,1H3
InChIKey
WBFVWQJVMMIQFI-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1)CCN1CCN(CC1)c1ccccc1Cl
Isomeric Smiles
Clc1ccccc1N1CCN(CCc2cn(nc2)C)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3004894
LogD (pH = 7.4)
2.7724159
Log P
2.9734483
Molar Refractivity
99.6125
Polarizability
33.265057
Polar Surface Area
24.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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