(E)-N-(6-chloro-2-phenylbenzotriazol-5-yl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide

Formula:C25H16N5O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-(6-chloro-2-phenylbenzotriazol-5-yl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(6-chloro-2-phenylbenzotriazol-5-yl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C25H16N5O4Cl
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=C/C(Nc2cc3nn(-c4ccccc4)nc3cc2Cl)=O)o1)=O
InChI	InChI=1S/C25H16ClN5O4/c26-19-14-21-22(29-30(28-21)16-6-2-1-3-7-16)15-20(19)27-25(32)13-11-17-10-12-24(35-17)18-8-4-5-9-23(18)31(33)34/h1-15H,(H,27,32)
InChIK	LOLNBSYDSIOBRF-UHFFFAOYSA-N
TotalMolweight	485.886
Molweight	485.886
MonoisotopicMass	485.089082
CLogP	4.4359
CLogS	-7.075
H Acceptors	9
H Donors	1
TotalSurfaceArea	358.35
Relative PSA	0.27303
PolarSurfaceArea	118.77
Druglikeness	-1.2249
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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