1-amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5,6-dioxopiperidin-3-ylidene]amino]urea

Formula:C19H14N6O4Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 1-amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5,6-dioxopiperidin-3-ylidene]amino]urea is a drug-like molecule.

MolName	1-amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5,6-dioxopiperidin-3-ylidene]amino]urea
MolecularFormula	C19H14N6O4Cl2
Smiles	NNC(N/N=C(\CN(c(ccc(Cl)c1)c1Cl)C1=O)/C(c2nc(cccc3)c3o2)C1=O)=O
InChI	InChI=1S/C19H14Cl2N6O4/c20-9-5-6-13(10(21)7-9)27-8-12(25-26-19(30)24-22)15(16(28)18(27)29)17-23-11-3-1-2-4-14(11)31-17/h1-7,15H,8,22H2,(H2,24,26,30)/t15-/m1/s1
InChIK	RPYXWPCJIMBDSF-OAHLLOKOSA-N
TotalMolweight	461.264
Molweight	461.264
MonoisotopicMass	460.045358
CLogP	2.1456
CLogS	-5.879
H Acceptors	10
H Donors	3
TotalSurfaceArea	317.63
Relative PSA	0.36977
PolarSurfaceArea	142.92
Druglikeness	-2.2552
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	hydrazine
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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1 - 1-amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5,6-dioxopiperidin-3-ylidene]amino]urea | 2 - 1-amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5,6-dioxopiperidin-3-ylidene]amino]urea

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