1-(3-chlorophenyl)-4-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]piperazine

Formula:C19H18N6ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(3-chlorophenyl)-4-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]piperazine is a drug-like molecule.

MolName	1-(3-chlorophenyl)-4-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]piperazine
MolecularFormula	C19H18N6ClF
Smiles	Fc(cc1)ccc1-n1nnnc1/C=C/N(CC1)CCN1c1cccc(Cl)c1
InChI	InChI=1S/C19H18ClFN6/c20-15-2-1-3-18(14-15)26-12-10-25(11-13-26)9-8-19-22-23-24-27(19)17-6-4-16(21)5-7-17/h1-9,14H,10-13H2
InChIK	JKCXZPOSXVYQRW-UHFFFAOYSA-N
TotalMolweight	384.845
Molweight	384.845
MonoisotopicMass	384.126549
CLogP	2.6636
CLogS	-3.876
H Acceptors	6
TotalSurfaceArea	288.67
Relative PSA	0.1624
PolarSurfaceArea	50.08
Druglikeness	3.0065
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	4
StereoCon

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