4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide

Formula:C17H14N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide is a drug-like molecule.

MolName	4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide
MolecularFormula	C17H14N2O4
Smiles	NC(c(cc1)ccc1NC(/C=C/c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C17H14N2O4/c18-17(21)12-3-5-13(6-4-12)19-16(20)8-2-11-1-7-14-15(9-11)23-10-22-14/h1-9H,10H2,(H2,18,21)(H,19,20)
InChIK	VSWJUCADBGKAMZ-UHFFFAOYSA-N
TotalMolweight	310.308
Molweight	310.308
MonoisotopicMass	310.095358
CLogP	2.335
CLogS	-4.298
H Acceptors	6
H Donors	2
TotalSurfaceArea	235.26
Relative PSA	0.30949
PolarSurfaceArea	90.65
Druglikeness	0.074296
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide | 2 - 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide

Request More Details | 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments