2-(4-chlorophenyl)-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]tetrazole

Formula:C17H13N4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(4-chlorophenyl)-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]tetrazole is a drug-like molecule.

MolName	2-(4-chlorophenyl)-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]tetrazole
MolecularFormula	C17H13N4Cl
Smiles	Clc(cc1)ccc1-n1nnc(/C=C/C=C/c2ccccc2)n1
InChI	InChI=1S/C17H13ClN4/c18-15-10-12-16(13-11-15)22-20-17(19-21-22)9-5-4-8-14-6-2-1-3-7-14/h1-13H
InChIK	NQWRDROMEIVPGD-UHFFFAOYSA-N
TotalMolweight	308.771
Molweight	308.771
MonoisotopicMass	308.082873
CLogP	4.3398
CLogS	-4.184
H Acceptors	4
TotalSurfaceArea	246.68
Relative PSA	0.16126
PolarSurfaceArea	43.6
Druglikeness	-2.3541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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