2-[2-[(Z)-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C25H20N5O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.

MolName	2-[2-[(Z)-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C25H20N5O4ClS
Smiles	OC(COc1c(/C=N\NC(CSc2nnc(-c3ccccc3)n2-c(cc2)ccc2Cl)=O)cccc1)=O
InChI	InChI=1S/C25H20ClN5O4S/c26-19-10-12-20(13-11-19)31-24(17-6-2-1-3-7-17)29-30-25(31)36-16-22(32)28-27-14-18-8-4-5-9-21(18)35-15-23(33)34/h1-14H,15-16H2,(H,28,32)(H,33,34)
InChIK	CMWSDHAXCAXGNP-UHFFFAOYSA-N
TotalMolweight	521.984
Molweight	521.984
MonoisotopicMass	521.092452
CLogP	4.1978
CLogS	-8.945
H Acceptors	9
H Donors	2
TotalSurfaceArea	387.76
Relative PSA	0.30547
PolarSurfaceArea	144
Druglikeness	5.3898
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-[2-[(Z)-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

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