1-(4-fluorophenyl)-4-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]piperazine

Formula:C23H21N6F Mutagenic:low Tumorigenic:high Reproductive Effective:none 1-(4-fluorophenyl)-4-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]piperazine is a drug-like molecule.

MolName	1-(4-fluorophenyl)-4-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]piperazine
MolecularFormula	C23H21N6F
Smiles	Fc(cc1)ccc1N(CC1)CCN1/C=C/c1nnnn1-c1cc2ccccc2cc1
InChI	InChI=1S/C23H21FN6/c24-20-6-9-21(10-7-20)29-15-13-28(14-16-29)12-11-23-25-26-27-30(23)22-8-5-18-3-1-2-4-19(18)17-22/h1-12,17H,13-16H2
InChIK	VGTSCTGSEPBTSP-UHFFFAOYSA-N
TotalMolweight	400.46
Molweight	400.46
MonoisotopicMass	400.181172
CLogP	3.252
CLogS	-4.746
H Acceptors	6
TotalSurfaceArea	307.85
Relative PSA	0.15228
PolarSurfaceArea	50.08
Druglikeness	3.0289
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	4
StereoCon

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