1-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]azepane

Formula:C15H18N5F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]azepane is a drug-like molecule.

MolName	1-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]azepane
MolecularFormula	C15H18N5F
Smiles	Fc(cc1)ccc1-n1nnnc1/C=C/N1CCCCCC1
InChI	InChI=1S/C15H18FN5/c16-13-5-7-14(8-6-13)21-15(17-18-19-21)9-12-20-10-3-1-2-4-11-20/h5-9,12H,1-4,10-11H2
InChIK	PRSJZXQSUYISRO-UHFFFAOYSA-N
TotalMolweight	287.341
Molweight	287.341
MonoisotopicMass	287.154623
CLogP	1.959
CLogS	-2.952
H Acceptors	5
TotalSurfaceArea	230.71
Relative PSA	0.18781
PolarSurfaceArea	46.84
Druglikeness	-3.3715
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	5
Aromatic Nitrogens	4
StereoCon

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1 - 1-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]azepane | 2 - 1-[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]azepane

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