3-[5-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid

Formula:C23H14N4O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	3-[5-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid
MolecularFormula	C23H14N4O4S
Smiles	N#C/C(/c1nnc(NC(c2ccccc2)=O)s1)=C\c1ccc(-c2cc(C(O)=O)ccc2)o1
InChI	InChI=1S/C23H14N4O4S/c24-13-17(21-26-27-23(32-21)25-20(28)14-5-2-1-3-6-14)12-18-9-10-19(31-18)15-7-4-8-16(11-15)22(29)30/h1-12H,(H,29,30)(H,25,27,28)
InChIK	HZCXMRWVJWKOPL-UHFFFAOYSA-N
TotalMolweight	442.454
Molweight	442.454
MonoisotopicMass	442.073576
CLogP	3.7471
CLogS	-5.821
H Acceptors	8
H Donors	2
TotalSurfaceArea	335.42
Relative PSA	0.35958
PolarSurfaceArea	157.35
Druglikeness	0.66905
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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