7-[(E)-2-(4-chlorophenyl)ethenyl]-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

Formula:C17H12N5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-[(E)-2-(4-chlorophenyl)ethenyl]-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is a drug-like molecule.

MolName	7-[(E)-2-(4-chlorophenyl)ethenyl]-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
MolecularFormula	C17H12N5Cl
Smiles	Clc1ccc(/C=C/c2ccnc3nc(-n4cccc4)nn23)cc1
InChI	InChI=1S/C17H12ClN5/c18-14-6-3-13(4-7-14)5-8-15-9-10-19-16-20-17(21-23(15)16)22-11-1-2-12-22/h1-12H
InChIK	NWSOTRSJPVBFDB-UHFFFAOYSA-N
TotalMolweight	321.77
Molweight	321.77
MonoisotopicMass	321.078122
CLogP	2.9485
CLogS	-2.185
H Acceptors	5
TotalSurfaceArea	245.43
Relative PSA	0.19448
PolarSurfaceArea	48.01
Druglikeness	4.3195
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	4
Aromatic Nitrogens	5
BasicNitrogens	2
StereoCon

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