2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]-N-[(Z)-(3-chloroquinoxalin-2-yl)methylideneamino]acetamide

Formula:C26H18N6O2Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]-N-[(Z)-(3-chloroquinoxalin-2-yl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[4-chloro-2-(2-phenylpyrazol-3-yl)phenoxy]-N-[(Z)-(3-chloroquinoxalin-2-yl)methylideneamino]acetamide
MolecularFormula	C26H18N6O2Cl2
Smiles	O=C(COc(ccc(Cl)c1)c1-c1ccnn1-c1ccccc1)N/N=C\c1nc2ccccc2nc1Cl
InChI	InChI=1S/C26H18Cl2N6O2/c27-17-10-11-24(19(14-17)23-12-13-30-34(23)18-6-2-1-3-7-18)36-16-25(35)33-29-15-22-26(28)32-21-9-5-4-8-20(21)31-22/h1-15H,16H2,(H,33,35)
InChIK	AQTWLJIIEHWPSV-UHFFFAOYSA-N
TotalMolweight	517.375
Molweight	517.375
MonoisotopicMass	516.086828
CLogP	4.4965
CLogS	-6.079
H Acceptors	8
H Donors	1
TotalSurfaceArea	381.19
Relative PSA	0.22506
PolarSurfaceArea	94.29
Druglikeness	5.6712
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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