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C30H22N6O9Cl2S2 | Cheminformatics
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5-[2-[4-[[4-[(3,4-dichlorophenyl)carbamoylamino]benzoyl]amino]-2-sulfophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid

Molecular Formula : C30H22N6O9Cl2S2 | Mutagenic : high | Tumorigenic : low | Reproductive Effective : none |
5-[2-[4-[[4-[(3,4-dichlorophenyl)carbamoylamino]benzoyl]amino]-2-sulfophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid is not a drug-like molecule.

MolName : 5-[2-[4-[[4-[(3,4-dichlorophenyl)carbamoylamino]benzoyl]amino]-2-sulfophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid

MolecularFormula : C30H22N6O9Cl2S2

Smiles : N=C(C=CC1=CC(S(O)(=O)=O)=C2)C(NNc(ccc(NC(c(cc3)ccc3NC(Nc(cc3)cc(Cl)c3Cl)=O)=O)c3)c3S(O)(=O)=O)=C1C2=O

InChI : InChI=1S/C30H22Cl2N6O9S2/c31-21-8-6-18(12-22(21)32)36-30(41)35-17-4-1-15(2-5-17)29(40)34-19-7-10-24(26(13-19)49(45,46)47)37-38-28-23(33)9-3-16-11-20(48(42,43)44)14-25(39)27(16)28/h1-14,33,37-38H,(H,34,40)(H2,35,36,41)(H,42,43,44)(H,45,46,47)

InChIK : RSUBLZIXDXICHJ-UHFFFAOYSA-N

TotalMolweight : 745.576

Molweight : 745.576

MonoisotopicMass : 744.026673

CLogP : 1.7619

CLogS : -4.768

H Acceptors : 15

H Donors : 8

TotalSurfaceArea : 496.18

Relative PSA : 0.39377

PolarSurfaceArea : 260.71

Druglikeness : 2.4093

Mutagenic : high

Tumorigenic : low

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.55102

Fragments : 1

Non HAtoms : 49

NonCHAtoms : 19

Electronegative Atoms : 19

Rotatable Bond : 9

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 4

Symmetricatoms : 4

Amides : 3

BasicNitrogens : 1

AcidicOxygens : 2

StereoCon :

Click to Load Molecule:
1 - 5-[2-[4-[[4-[(3,4-dichlorophenyl)carbamoylamino]benzoyl]amino]-2-sulfophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid
2 - 5-[2-[4-[[4-[(3,4-dichlorophenyl)carbamoylamino]benzoyl]amino]-2-sulfophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid
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Request More Details | 5-[2-[4-[[4-[(3,4-dichlorophenyl)carbamoylamino]benzoyl]amino]-2-sulfophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid


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