4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-nitrophenolate

Formula:C15H10N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-nitrophenolate is a drug-like molecule.

MolName	4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-nitrophenolate
MolecularFormula	C15H10N3O5
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\c(cc1)cc([N+]([O-])=O)c1[O-]
InChI	InChI=1S/C15H11N3O5/c16-8-11(15(20)17-9-12-2-1-5-23-12)6-10-3-4-14(19)13(7-10)18(21)22/h1-7,19H,9H2,(H,17,20)/p-1
InChIK	WEPAPFZTCWAFNL-UHFFFAOYSA-M
TotalMolweight	312.26
Molweight	312.26
MonoisotopicMass	312.062047
CLogP	-0.9589
CLogS	-3.432
H Acceptors	8
H Donors	1
TotalSurfaceArea	243.3
Relative PSA	0.39815
PolarSurfaceArea	134.91
Druglikeness	-6.4916
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

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1 - 4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-nitrophenolate | 2 - 4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-nitrophenolate

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