6-nitro-2-phenyl-5-[(E)-2-phenylethenyl]-1H-indol-3-ol

Formula:C22H16N2O3 Mutagenic:high Tumorigenic:low Reproductive Effective:none 6-nitro-2-phenyl-5-[(E)-2-phenylethenyl]-1H-indol-3-ol is a drug-like molecule.

MolName	6-nitro-2-phenyl-5-[(E)-2-phenylethenyl]-1H-indol-3-ol
MolecularFormula	C22H16N2O3
Smiles	[O-][N+](c1c(/C=C/c2ccccc2)cc2c(O)c(-c3ccccc3)[nH]c2c1)=O
InChI	InChI=1S/C22H16N2O3/c25-22-18-13-17(12-11-15-7-3-1-4-8-15)20(24(26)27)14-19(18)23-21(22)16-9-5-2-6-10-16/h1-14,23,25H
InChIK	LLHMDRUXYAHYTF-UHFFFAOYSA-N
TotalMolweight	356.38
Molweight	356.38
MonoisotopicMass	356.116093
CLogP	4.3889
CLogS	-6.219
H Acceptors	5
H Donors	2
TotalSurfaceArea	273.47
Relative PSA	0.2103
PolarSurfaceArea	81.84
Druglikeness	-4.855
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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