N-[[(4S)-4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylideneamino]-5-nitrofuran-2-carboxamide

Formula:C28H21N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[[(4S)-4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylideneamino]-5-nitrofuran-2-carboxamide is a drug-like molecule.

MolName	N-[[(4S)-4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylideneamino]-5-nitrofuran-2-carboxamide
MolecularFormula	C28H21N3O5
Smiles	Cc1c([C@H]2c(cccc3)c3OC(c3ccccc3)=C2C=NNC(c2ccc([N+]([O-])=O)o2)=O)cccc1
InChI	InChI=1S/C28H21N3O5/c1-18-9-5-6-12-20(18)26-21-13-7-8-14-23(21)36-27(19-10-3-2-4-11-19)22(26)17-29-30-28(32)24-15-16-25(35-24)31(33)34/h2-17,26H,1H3,(H,30,32)/t26-/m0/s1
InChIK	OBEBQXKELCDIAN-SANMLTNESA-N
TotalMolweight	479.491
Molweight	479.491
MonoisotopicMass	479.148122
CLogP	4.7397
CLogS	-7.336
H Acceptors	8
H Donors	1
TotalSurfaceArea	364.05
Relative PSA	0.2487
PolarSurfaceArea	109.65
Druglikeness	1.6083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.41667
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon	this enantiomer

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