(1E)-N-[(5-carbamoyl-1H-imidazol-4-yl)amino]-2-(4-chloroanilino)-2-oxoethanimidoyl cyanide

Formula:C13H10N7O2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (1E)-N-[(5-carbamoyl-1H-imidazol-4-yl)amino]-2-(4-chloroanilino)-2-oxoethanimidoyl cyanide is a drug-like molecule.

MolName	(1E)-N-[(5-carbamoyl-1H-imidazol-4-yl)amino]-2-(4-chloroanilino)-2-oxoethanimidoyl cyanide
MolecularFormula	C13H10N7O2Cl
Smiles	NC(c1c(N/N=C(/C(Nc(cc2)ccc2Cl)=O)\C#N)nc[nH]1)=O
InChI	InChI=1S/C13H10ClN7O2/c14-7-1-3-8(4-2-7)19-13(23)9(5-15)20-21-12-10(11(16)22)17-6-18-12/h1-4,6,21H,(H2,16,22)(H,17,18)(H,19,23)
InChIK	KNAYFTZXQHEQKN-UHFFFAOYSA-N
TotalMolweight	331.722
Molweight	331.722
MonoisotopicMass	331.05845
CLogP	1.5172
CLogS	-3.426
H Acceptors	9
H Donors	4
TotalSurfaceArea	248.39
Relative PSA	0.46016
PolarSurfaceArea	149.05
Druglikeness	1.4577
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - (1E)-N-[(5-carbamoyl-1H-imidazol-4-yl)amino]-2-(4-chloroanilino)-2-oxoethanimidoyl cyanide | 2 - (1E)-N-[(5-carbamoyl-1H-imidazol-4-yl)amino]-2-(4-chloroanilino)-2-oxoethanimidoyl cyanide

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