4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid

Formula:C20H18N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]butanoic acid
MolecularFormula	C20H18N3O6Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCCCC(O)=O)=O)/NC(c(cc2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C20H18BrN3O6/c21-15-8-6-14(7-9-15)19(27)23-17(20(28)22-10-2-5-18(25)26)12-13-3-1-4-16(11-13)24(29)30/h1,3-4,6-9,11-12H,2,5,10H2,(H,22,28)(H,23,27)(H,25,26)
InChIK	QNCICDNFGKUUFV-UHFFFAOYSA-N
TotalMolweight	476.282
Molweight	476.282
MonoisotopicMass	475.037898
CLogP	2.5575
CLogS	-4.975
H Acceptors	9
H Donors	3
TotalSurfaceArea	323.83
Relative PSA	0.32597
PolarSurfaceArea	141.32
Druglikeness	-5.6572
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
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
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments