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MolName : (4Z)-3-oxo-4-[[4-[4-[[4-[(2Z)-2-(2-oxo-5,7-disulfonaphthalen-1-ylidene)hydrazinyl]benzoyl]amino]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid

MolecularFormula : C39H27N5O15S5

Smiles : OS(c(cc1)cc(C=C(C2=O)S(O)(=O)=O)c1/C2=N/Nc(cc1)ccc1Sc(cc1)ccc1NC(c(cc1)ccc1N/N=C(/c1c(C=C2)c(S(O)(=O)=O)cc(S(O)(=O)=O)c1)\C2=O)=O)(=O)=O

InChI : InChI=1S/C39H27N5O15S5/c45-33-16-15-31-32(19-29(62(51,52)53)20-34(31)63(54,55)56)36(33)43-41-24-3-1-21(2-4-24)39(47)40-23-5-9-26(10-6-23)60-27-11-7-25(8-12-27)42-44-37-30-14-13-28(61(48,49)50)17-22(30)18-35(38(37)46)64(57,58)59/h1-20,41-42H,(H,40,47)(H,48

InChIK : PUVYYSCHRIUERL-UHFFFAOYSA-N

TotalMolweight : 965.993

Molweight : 965.993

MonoisotopicMass : 965.01072

CLogP : 1.7936

CLogS : -4.784

H Acceptors : 20

H Donors : 7

TotalSurfaceArea : 627.29

Relative PSA : 0.44753

PolarSurfaceArea : 388.32

Druglikeness : 4.8295

Mutagenic : low

Tumorigenic : none

Reproductive Effective : high

Irritant : high

Nasty Functions :

Shape Index : 0.5

Fragments : 1

Non HAtoms : 64

NonCHAtoms : 25

Electronegative Atoms : 25

Rotatable Bond : 12

Rings Closures : 7

Small Rings : 7

Aromatic Rings : 5

Aromatic Atoms : 30

Sp3Atoms : 9

Symmetricatoms : 10

Amides : 1

AcidicOxygens : 4

StereoCon :