(3Z)-1-(3,4-dichlorophenyl)-3-(2-phenyl-3H-isoindol-1-ylidene)urea

Formula:C21H15N3OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-1-(3,4-dichlorophenyl)-3-(2-phenyl-3H-isoindol-1-ylidene)urea is not a drug-like molecule.

MolName	(3Z)-1-(3,4-dichlorophenyl)-3-(2-phenyl-3H-isoindol-1-ylidene)urea
MolecularFormula	C21H15N3OCl2
Smiles	O=C(Nc(cc1)cc(Cl)c1Cl)/N=C(/c1c(C2)cccc1)\N2c1ccccc1
InChI	InChI=1S/C21H15Cl2N3O/c22-18-11-10-15(12-19(18)23)24-21(27)25-20-17-9-5-4-6-14(17)13-26(20)16-7-2-1-3-8-16/h1-12H,13H2,(H,24,27)
InChIK	IPSKJGLTNAICHP-UHFFFAOYSA-N
TotalMolweight	396.276
Molweight	396.276
MonoisotopicMass	395.059216
CLogP	5.1512
CLogS	-6.837
H Acceptors	4
H Donors	1
TotalSurfaceArea	286.36
Relative PSA	0.13815
PolarSurfaceArea	44.7
Druglikeness	2.6145
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
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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