[(E)-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]amino] 2-chlorobenzoate

Formula:C21H20N6O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]amino] 2-chlorobenzoate is not a drug-like molecule.

MolName	[(E)-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]amino] 2-chlorobenzoate
MolecularFormula	C21H20N6O2Cl2
Smiles	O=C(c(cccc1)c1Cl)O/N=C(/Cn1nnc(N2CCCCC2)n1)\c(cc1)ccc1Cl
InChI	InChI=1S/C21H20Cl2N6O2/c22-16-10-8-15(9-11-16)19(26-31-20(30)17-6-2-3-7-18(17)23)14-29-25-21(24-27-29)28-12-4-1-5-13-28/h2-3,6-11H,1,4-5,12-14H2
InChIK	YUFPOKQEYOJXHN-UHFFFAOYSA-N
TotalMolweight	459.336
Molweight	459.336
MonoisotopicMass	458.102478
CLogP	5.3826
CLogS	-5.959
H Acceptors	8
TotalSurfaceArea	339.18
Relative PSA	0.22961
PolarSurfaceArea	85.5
Druglikeness	-3.8038
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
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 - [(E)-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]amino] 2-chlorobenzoate | 2 - [(E)-[1-(4-chlorophenyl)-2-(5-piperidin-1-yltetrazol-2-yl)ethylidene]amino] 2-chlorobenzoate

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