(3Z)-1-(3,4-dichlorophenyl)-3-[2-(4-iodophenyl)-3H-isoindol-1-ylidene]urea

Formula:C21H14N3OCl2I Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-1-(3,4-dichlorophenyl)-3-[2-(4-iodophenyl)-3H-isoindol-1-ylidene]urea is not a drug-like molecule.

MolName	(3Z)-1-(3,4-dichlorophenyl)-3-[2-(4-iodophenyl)-3H-isoindol-1-ylidene]urea
MolecularFormula	C21H14N3OCl2I
Smiles	O=C(Nc(cc1)cc(Cl)c1Cl)/N=C(/c1c(C2)cccc1)\N2c(cc1)ccc1I
InChI	InChI=1S/C21H14Cl2IN3O/c22-18-10-7-15(11-19(18)23)25-21(28)26-20-17-4-2-1-3-13(17)12-27(20)16-8-5-14(24)6-9-16/h1-11H,12H2,(H,25,28)
InChIK	BREGTBNVAQHOBX-UHFFFAOYSA-N
TotalMolweight	522.168
Molweight	522.168
MonoisotopicMass	520.955864
CLogP	5.5883
CLogS	-7.853
H Acceptors	4
H Donors	1
TotalSurfaceArea	312.64
Relative PSA	0.12654
PolarSurfaceArea	44.7
Druglikeness	3.1294
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
BasicNitrogens	1
StereoCon

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