2-[[5-nitro-2-[(2E)-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid

Formula:C29H24N6O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-nitro-2-[(2E)-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid is not a drug-like molecule.

MolName	2-[[5-nitro-2-[(2E)-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid
MolecularFormula	C29H24N6O6S
Smiles	[O-][N+](c(cc1)cc(S(Nc(cccc2)c2C(O)=O)(=O)=O)c1N/N=C/c(cc1)ccc1N(CC1)N=C1c1ccccc1)=O
InChI	InChI=1S/C29H24N6O6S/c36-29(37)24-8-4-5-9-26(24)33-42(40,41)28-18-23(35(38)39)14-15-27(28)31-30-19-20-10-12-22(13-11-20)34-17-16-25(32-34)21-6-2-1-3-7-21/h1-15,18-19,31,33H,16-17H2,(H,36,37)
InChIK	KQJRVVQSIRWALD-UHFFFAOYSA-N
TotalMolweight	584.612
Molweight	584.612
MonoisotopicMass	584.147804
CLogP	5.6497
CLogS	-6.794
H Acceptors	12
H Donors	3
TotalSurfaceArea	423.86
Relative PSA	0.31763
PolarSurfaceArea	177.66
Druglikeness	0.86772
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52381
Fragments	1
Non HAtoms	42
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	5
Amides	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 2-[[5-nitro-2-[(2E)-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid | 2 - 2-[[5-nitro-2-[(2E)-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid

Request More Details | 2-[[5-nitro-2-[(2E)-2-[[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments