3,5-dinitro-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide

Formula:C21H15N5O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high 3,5-dinitro-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide is a drug-like molecule.

MolName	3,5-dinitro-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide
MolecularFormula	C21H15N5O5S
Smiles	C=C(c(cc1)cc2c1Sc(cccc1)c1N2)NNC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C21H15N5O5S/c1-12(13-6-7-20-18(10-13)22-17-4-2-3-5-19(17)32-20)23-24-21(27)14-8-15(25(28)29)11-16(9-14)26(30)31/h2-11,22-23H,1H2,(H,24,27)
InChIK	USIPEFSNHVVUJN-UHFFFAOYSA-N
TotalMolweight	449.446
Molweight	449.446
MonoisotopicMass	449.07939
CLogP	2.4081
CLogS	-6.833
H Acceptors	10
H Donors	3
TotalSurfaceArea	318.99
Relative PSA	0.39421
PolarSurfaceArea	170.1
Druglikeness	-5.5016
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	5
Amines	1
Aromatic Amines	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 3,5-dinitro-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide | 2 - 3,5-dinitro-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide

Request More Details | 3,5-dinitro-N'-[1-(10H-phenothiazin-2-yl)ethenyl]benzohydrazide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments