3-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]propanoic acid

Formula:C24H20N3O6Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]propanoic acid
MolecularFormula	C24H20N3O6Cl
Smiles	OC(CCNC(c(cc1)ccc1NC(/C(/NC(c1ccco1)=O)=C\c(cccc1)c1Cl)=O)=O)=O
InChI	InChI=1S/C24H20ClN3O6/c25-18-5-2-1-4-16(18)14-19(28-24(33)20-6-3-13-34-20)23(32)27-17-9-7-15(8-10-17)22(31)26-12-11-21(29)30/h1-10,13-14H,11-12H2,(H,26,31)(H,27,32)(H,28,33)(H,29,30)
InChIK	JPIADCBEUWCQFS-UHFFFAOYSA-N
TotalMolweight	481.891
Molweight	481.891
MonoisotopicMass	481.104064
CLogP	3.2417
CLogS	-5.341
H Acceptors	9
H Donors	4
TotalSurfaceArea	361.85
Relative PSA	0.31436
PolarSurfaceArea	137.74
Druglikeness	3.6061
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]propanoic acid | 2 - 3-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]propanoic acid

Request More Details | 3-[[4-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoyl]amino]propanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments