[4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C26H20N3O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C26H20N3O4Br
Smiles	O=C(CNc1cc2ccccc2cc1)N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccco1)=O
InChI	InChI=1S/C26H20BrN3O4/c27-21-8-11-24(34-26(32)12-10-23-6-3-13-33-23)20(14-21)16-29-30-25(31)17-28-22-9-7-18-4-1-2-5-19(18)15-22/h1-16,28H,17H2,(H,30,31)
InChIK	VBOXYIBKQIKQFO-UHFFFAOYSA-N
TotalMolweight	518.366
Molweight	518.366
MonoisotopicMass	517.063718
CLogP	5.3615
CLogS	-7.505
H Acceptors	7
H Donors	2
TotalSurfaceArea	369.14
Relative PSA	0.22924
PolarSurfaceArea	92.93
Druglikeness	0.71804
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Amines	1
Aromatic Amines	1
StereoCon

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1 - [4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate

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