Molecule

ID:89503

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClN₃
Molecular Mass
287.78722
Exact Mass
287.11892527
Charge
0
InChI
InChI=1S/C16H18ClN3/c17-15-3-1-2-4-16(15)20-11-9-19(10-12-20)14-7-5-13(18)6-8-14/h1-8H,9-12,18H2
InChIKey
QQZMIVRUPVSSTO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)c1ccccc1Cl
Isomeric Smiles
N1(c2c(cccc2)Cl)CCN(c2ccc(cc2)N)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0863583
LogD (pH = 7.4)
3.5825386
Log P
3.5946481
Molar Refractivity
86.5404
Polarizability
31.845013
Polar Surface Area
32.5
Rotatable Bonds
2
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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