1-(4-chlorophenyl)-3-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]urea

Formula:C17H12N5O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-chlorophenyl)-3-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]urea is a drug-like molecule.

MolName	1-(4-chlorophenyl)-3-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]urea
MolecularFormula	C17H12N5O4Cl
Smiles	N#C/C(/C(NNC(Nc(cc1)ccc1Cl)=O)=O)=C\c1cc([N+]([O-])=O)ccc1
InChI	InChI=1S/C17H12ClN5O4/c18-13-4-6-14(7-5-13)20-17(25)22-21-16(24)12(10-19)8-11-2-1-3-15(9-11)23(26)27/h1-9H,(H,21,24)(H2,20,22,25)
InChIK	YDGJFZCVNSZAJU-UHFFFAOYSA-N
TotalMolweight	385.766
Molweight	385.766
MonoisotopicMass	385.057782
CLogP	1.4771
CLogS	-5.664
H Acceptors	9
H Donors	3
TotalSurfaceArea	288.41
Relative PSA	0.36212
PolarSurfaceArea	139.84
Druglikeness	-5.8718
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 1-(4-chlorophenyl)-3-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]urea | 2 - 1-(4-chlorophenyl)-3-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]urea

Request More Details | 1-(4-chlorophenyl)-3-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]urea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments