[(Z)-[5-nitro-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea

Formula:C19H20N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[5-nitro-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea is a drug-like molecule.

MolName	[(Z)-[5-nitro-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea
MolecularFormula	C19H20N4O5
Smiles	C=CCc(cccc1)c1OCCOc(cc1)c(/C=N\NC(N)=O)cc1[N+]([O-])=O
InChI	InChI=1S/C19H20N4O5/c1-2-5-14-6-3-4-7-17(14)27-10-11-28-18-9-8-16(23(25)26)12-15(18)13-21-22-19(20)24/h2-4,6-9,12-13H,1,5,10-11H2,(H3,20,22,24)
InChIK	WXDDRVZXGJFMCR-UHFFFAOYSA-N
TotalMolweight	384.391
Molweight	384.391
MonoisotopicMass	384.143371
CLogP	2.5971
CLogS	-5.254
H Acceptors	9
H Donors	2
TotalSurfaceArea	305
Relative PSA	0.33344
PolarSurfaceArea	131.76
Druglikeness	-10.879
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon

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