[(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] 3,5-dichlorobenzoate

Formula:C17H12N4O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] 3,5-dichlorobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] 3,5-dichlorobenzoate
MolecularFormula	C17H12N4O2Cl2S
Smiles	N/C(/Cc(cc1)ccc1-c1csnn1)=N/OC(c1cc(Cl)cc(Cl)c1)=O
InChI	InChI=1S/C17H12Cl2N4O2S/c18-13-6-12(7-14(19)8-13)17(24)25-22-16(20)5-10-1-3-11(4-2-10)15-9-26-23-21-15/h1-4,6-9H,5H2,(H2,20,22)
InChIK	OVTDJXBKYGFFNE-UHFFFAOYSA-N
TotalMolweight	407.28
Molweight	407.28
MonoisotopicMass	406.0058
CLogP	4.9632
CLogS	-6.388
H Acceptors	6
H Donors	1
TotalSurfaceArea	290.08
Relative PSA	0.31757
PolarSurfaceArea	118.7
Druglikeness	-5.8527
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	5
Aromatic Nitrogens	2
StereoCon

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1 - [(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] 3,5-dichlorobenzoate | 2 - [(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] 3,5-dichlorobenzoate

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