N-[5-[(E)-2-[2-[(2-chlorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C25H17N4O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[(E)-2-[2-[(2-chlorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.

MolName	N-[5-[(E)-2-[2-[(2-chlorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C25H17N4O2ClS
Smiles	N#C/C(/c1nnc(NC(c2ccccc2)=O)s1)=C\c(cccc1)c1OCc(cccc1)c1Cl
InChI	InChI=1S/C25H17ClN4O2S/c26-21-12-6-4-11-19(21)16-32-22-13-7-5-10-18(22)14-20(15-27)24-29-30-25(33-24)28-23(31)17-8-2-1-3-9-17/h1-14H,16H2,(H,28,30,31)
InChIK	DSIIXHXPWLFYOF-UHFFFAOYSA-N
TotalMolweight	472.955
Molweight	472.955
MonoisotopicMass	472.076073
CLogP	5.2772
CLogS	-6.425
H Acceptors	6
H Donors	1
TotalSurfaceArea	360.81
Relative PSA	0.25044
PolarSurfaceArea	116.14
Druglikeness	-0.30656
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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