6-[(E)-2-nitroethenyl]-3,4-dihydro-2H-chromene

Formula:C11H11NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-nitroethenyl]-3,4-dihydro-2H-chromene is a drug-like molecule.

MolName	6-[(E)-2-nitroethenyl]-3,4-dihydro-2H-chromene
MolecularFormula	C11H11NO3
Smiles	[O-][N+](/C=C/c(cc1)cc2c1OCCC2)=O
InChI	InChI=1S/C11H11NO3/c13-12(14)6-5-9-3-4-11-10(8-9)2-1-7-15-11/h3-6,8H,1-2,7H2
InChIK	CNSMZWUDRMEYQP-UHFFFAOYSA-N
TotalMolweight	205.212
Molweight	205.212
MonoisotopicMass	205.073894
CLogP	1.3376
CLogS	-3.263
H Acceptors	4
TotalSurfaceArea	161.21
Relative PSA	0.25073
PolarSurfaceArea	55.05
Druglikeness	-10.956
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
AcidicOxygens	1
StereoCon

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