2-[(3Z)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]benzene-1,4-diol

Formula:C22H22N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3Z)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]benzene-1,4-diol is a drug-like molecule.

MolName	2-[(3Z)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]benzene-1,4-diol
MolecularFormula	C22H22N2O5
Smiles	[O-][N+](c1ccc(/C=C(/CC2)\C(N3CCOCC3)=C2c(cc(cc2)O)c2O)cc1)=O
InChI	InChI=1S/C22H22N2O5/c25-18-6-8-21(26)20(14-18)19-7-3-16(22(19)23-9-11-29-12-10-23)13-15-1-4-17(5-2-15)24(27)28/h1-2,4-6,8,13-14,25-26H,3,7,9-12H2
InChIK	GDCNESQDSRXMSB-UHFFFAOYSA-N
TotalMolweight	394.426
Molweight	394.426
MonoisotopicMass	394.152873
CLogP	1.5869
CLogS	-3.499
H Acceptors	7
H Donors	2
TotalSurfaceArea	292.88
Relative PSA	0.23959
PolarSurfaceArea	98.75
Druglikeness	-3.9259
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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