2-[2-[(E)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C17H14N3O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[2-[(E)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(E)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C17H14N3O7Cl
Smiles	[O-][N+](c(cc(cc1)Cl)c1OCC(N/N=C/c(cccc1)c1OCC(O)=O)=O)=O
InChI	InChI=1S/C17H14ClN3O7/c18-12-5-6-15(13(7-12)21(25)26)27-9-16(22)20-19-8-11-3-1-2-4-14(11)28-10-17(23)24/h1-8H,9-10H2,(H,20,22)(H,23,24)
InChIK	JJLJCRCAUZPAJH-UHFFFAOYSA-N
TotalMolweight	407.765
Molweight	407.765
MonoisotopicMass	407.052029
CLogP	1.5209
CLogS	-4.49
H Acceptors	10
H Donors	2
TotalSurfaceArea	297.7
Relative PSA	0.37813
PolarSurfaceArea	143.04
Druglikeness	-0.80869
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
AcidicOxygens	2
StereoCon

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