[3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C23H17N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C23H17N2O5Br
Smiles	O=C(Cc(cc1)ccc1Br)N/N=C\c1cc(OC(c(cc2)cc3c2OCO3)=O)ccc1
InChI	InChI=1S/C23H17BrN2O5/c24-18-7-4-15(5-8-18)11-22(27)26-25-13-16-2-1-3-19(10-16)31-23(28)17-6-9-20-21(12-17)30-14-29-20/h1-10,12-13H,11,14H2,(H,26,27)
InChIK	QLDKNZCZLZBILX-UHFFFAOYSA-N
TotalMolweight	481.301
Molweight	481.301
MonoisotopicMass	480.032084
CLogP	5.4668
CLogS	-6.701
H Acceptors	7
H Donors	1
TotalSurfaceArea	327.15
Relative PSA	0.24163
PolarSurfaceArea	86.22
Druglikeness	2.2063
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - [3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Request More Details | [3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments