4-[(3-bromophenyl)methoxy]-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide

Formula:C24H19N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(3-bromophenyl)methoxy]-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide is not a drug-like molecule.

MolName	4-[(3-bromophenyl)methoxy]-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
MolecularFormula	C24H19N2O3Br
Smiles	C#CCOc1c(/C=N\NC(c(cc2)ccc2OCc2cccc(Br)c2)=O)cccc1
InChI	InChI=1S/C24H19BrN2O3/c1-2-14-29-23-9-4-3-7-20(23)16-26-27-24(28)19-10-12-22(13-11-19)30-17-18-6-5-8-21(25)15-18/h1,3-13,15-16H,14,17H2,(H,27,28)
InChIK	XBFYQYHQTPWVKC-UHFFFAOYSA-N
TotalMolweight	463.33
Molweight	463.33
MonoisotopicMass	462.057904
CLogP	5.2321
CLogS	-6.538
H Acceptors	5
H Donors	1
TotalSurfaceArea	336.71
Relative PSA	0.16634
PolarSurfaceArea	59.92
Druglikeness	2.2497
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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