Molecule

ID:48355

General Information
Structure
Molecular Formula
C₁₅H₁₇ClN₄
Molecular Mass
288.77528
Exact Mass
288.11417424
Charge
0
InChI
InChI=1S/C15H17ClN4/c16-14-10-15(18-12-17-14)20-8-6-19(7-9-20)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKey
NXVNFKBSHXUAIT-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc(c1)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
c1(N2CCN(Cc3ccccc3)CC2)cc(ncn1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1278001
LogD (pH = 7.4)
2.7770493
Log P
3.1480515
Molar Refractivity
83.9932
Polarizability
31.203571
Polar Surface Area
32.26
Rotatable Bonds
3
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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