(E)-N'-[2-(4-bromophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide

Formula:C21H17N2O3Br Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-N'-[2-(4-bromophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide is a drug-like molecule.

MolName	(E)-N'-[2-(4-bromophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
MolecularFormula	C21H17N2O3Br
Smiles	O=C(COc(cc1)ccc1Br)NNC(/C=C/c1cccc2ccccc12)=O
InChI	InChI=1S/C21H17BrN2O3/c22-17-9-11-18(12-10-17)27-14-21(26)24-23-20(25)13-8-16-6-3-5-15-4-1-2-7-19(15)16/h1-13H,14H2,(H,23,25)(H,24,26)
InChIK	OVJHHKYSHNWRNH-UHFFFAOYSA-N
TotalMolweight	425.281
Molweight	425.281
MonoisotopicMass	424.042254
CLogP	3.4413
CLogS	-5.9
H Acceptors	5
H Donors	2
TotalSurfaceArea	294.93
Relative PSA	0.20005
PolarSurfaceArea	67.43
Druglikeness	-1.2524
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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