Molecule

ID:120736

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₄
Molecular Mass
274.7487
Exact Mass
274.09852418
Charge
0
InChI
InChI=1S/C14H15ClN4/c15-14-16-7-6-13(17-14)19-10-8-18(9-11-19)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKey
ZARNWATVDYLGNN-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(n1)N1CCN(CC1)c1ccccc1
Isomeric Smiles
n1c(N2CCN(CC2)c2ccccc2)ccnc1Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3964753
LogD (pH = 7.4)
3.3989947
Log P
3.3990269
Molar Refractivity
79.5116
Polarizability
29.045033
Polar Surface Area
32.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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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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