N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[2-(1-phenylpyrazol-4-yl)phenoxy]acetamide

Formula:C27H20N5O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[2-(1-phenylpyrazol-4-yl)phenoxy]acetamide is a drug-like molecule.

MolName	N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[2-(1-phenylpyrazol-4-yl)phenoxy]acetamide
MolecularFormula	C27H20N5O2Cl
Smiles	O=C(COc(cccc1)c1-c1cn(-c2ccccc2)nc1)N/N=C\c1cc2ccccc2nc1Cl
InChI	InChI=1S/C27H20ClN5O2/c28-27-20(14-19-8-4-6-12-24(19)31-27)15-29-32-26(34)18-35-25-13-7-5-11-23(25)21-16-30-33(17-21)22-9-2-1-3-10-22/h1-17H,18H2,(H,32,34)
InChIK	ZMFRCKHNEVKCOG-UHFFFAOYSA-N
TotalMolweight	481.942
Molweight	481.942
MonoisotopicMass	481.130552
CLogP	4.6239
CLogS	-6.527
H Acceptors	7
H Donors	1
TotalSurfaceArea	367.01
Relative PSA	0.20386
PolarSurfaceArea	81.4
Druglikeness	5.5038
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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