4-[(E)-2-(4-chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine

Formula:C15H12N5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is a drug-like molecule.

MolName	4-[(E)-2-(4-chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
MolecularFormula	C15H12N5Cl
Smiles	Clc1ccc(/C=C/c2nc(Cn3ncnc3)ncc2)cc1
InChI	InChI=1S/C15H12ClN5/c16-13-4-1-12(2-5-13)3-6-14-7-8-18-15(20-14)9-21-11-17-10-19-21/h1-8,10-11H,9H2
InChIK	QIFOGWZSXWHDPE-UHFFFAOYSA-N
TotalMolweight	297.748
Molweight	297.748
MonoisotopicMass	297.078122
CLogP	2.149
CLogS	-2.726
H Acceptors	5
TotalSurfaceArea	232.7
Relative PSA	0.21809
PolarSurfaceArea	56.49
Druglikeness	3.338
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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