[(E)-[1-amino-3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propylidene]amino] 4-chlorobenzoate

Formula:C21H18N5O5ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propylidene]amino] 4-chlorobenzoate is not a drug-like molecule.

MolName	[(E)-[1-amino-3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propylidene]amino] 4-chlorobenzoate
MolecularFormula	C21H18N5O5ClS2
Smiles	N/C(/CCN(Cc1ccco1)S(c1cccc2nsnc12)(=O)=O)=N/OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C21H18ClN5O5S2/c22-15-8-6-14(7-9-15)21(28)32-24-19(23)10-11-27(13-16-3-2-12-31-16)34(29,30)18-5-1-4-17-20(18)26-33-25-17/h1-9,12H,10-11,13H2,(H2,23,24)
InChIK	UPIIDHVFNHCSNB-UHFFFAOYSA-N
TotalMolweight	519.989
Molweight	519.989
MonoisotopicMass	519.043787
CLogP	4.1194
CLogS	-1.08
H Acceptors	10
H Donors	1
TotalSurfaceArea	365.35
Relative PSA	0.37871
PolarSurfaceArea	177.6
Druglikeness	3.0226
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - [(E)-[1-amino-3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propylidene]amino] 4-chlorobenzoate | 2 - [(E)-[1-amino-3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propylidene]amino] 4-chlorobenzoate

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