3-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Formula:C19H18N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid is a drug-like molecule.

MolName	3-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
MolecularFormula	C19H18N3O3ClS
Smiles	Cc(cc(cc1)OCc(n2-c3ccccc3)nnc2SCCC(O)=O)c1Cl
InChI	InChI=1S/C19H18ClN3O3S/c1-13-11-15(7-8-16(13)20)26-12-17-21-22-19(27-10-9-18(24)25)23(17)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,24,25)
InChIK	KCDHMGBXSJKPLL-UHFFFAOYSA-N
TotalMolweight	403.889
Molweight	403.889
MonoisotopicMass	403.075739
CLogP	3.4738
CLogS	-6.154
H Acceptors	6
H Donors	1
TotalSurfaceArea	300.05
Relative PSA	0.27475
PolarSurfaceArea	102.54
Druglikeness	1.767
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - 3-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid | 2 - 3-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

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