4-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid

Formula:C20H18N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid
MolecularFormula	C20H18N3O6Cl
Smiles	[O-][N+](c1cccc(/C=C(/C(NCCCC(O)=O)=O)\NC(c(cccc2)c2Cl)=O)c1)=O
InChI	InChI=1S/C20H18ClN3O6/c21-16-8-2-1-7-15(16)19(27)23-17(20(28)22-10-4-9-18(25)26)12-13-5-3-6-14(11-13)24(29)30/h1-3,5-8,11-12H,4,9-10H2,(H,22,28)(H,23,27)(H,25,26)
InChIK	MVFGPPNHDKXDKC-UHFFFAOYSA-N
TotalMolweight	431.831
Molweight	431.831
MonoisotopicMass	431.088414
CLogP	2.4383
CLogS	-4.877
H Acceptors	9
H Donors	3
TotalSurfaceArea	320.62
Relative PSA	0.32924
PolarSurfaceArea	141.32
Druglikeness	-3.7918
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 4-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid | 2 - 4-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid

Request More Details | 4-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments