[(Z)-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]amino] 2,4-dichlorobenzoate

Formula:C21H19N6O2Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]amino] 2,4-dichlorobenzoate is not a drug-like molecule.

MolName	[(Z)-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]amino] 2,4-dichlorobenzoate
MolecularFormula	C21H19N6O2Cl3
Smiles	O=C(c(ccc(Cl)c1)c1Cl)O/N=C(\Cn1nnc(N2CCCCC2)n1)/c(cc1)ccc1Cl
InChI	InChI=1S/C21H19Cl3N6O2/c22-15-6-4-14(5-7-15)19(27-32-20(31)17-9-8-16(23)12-18(17)24)13-30-26-21(25-28-30)29-10-2-1-3-11-29/h4-9,12H,1-3,10-11,13H2
InChIK	RHRFDVLPGSZHOD-UHFFFAOYSA-N
TotalMolweight	493.781
Molweight	493.781
MonoisotopicMass	492.063505
CLogP	5.9886
CLogS	-6.695
H Acceptors	8
TotalSurfaceArea	354.6
Relative PSA	0.21963
PolarSurfaceArea	85.5
Druglikeness	-3.8038
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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1 - [(Z)-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]amino] 2,4-dichlorobenzoate | 2 - [(Z)-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]amino] 2,4-dichlorobenzoate

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