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

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.
MolName5-[2-[4-[[4-[(3,4-dichlorophenyl)carbamoylamino]benzoyl]amino]-2-sulfophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid
MolecularFormulaC30H22N6O9Cl2S2
SmilesN=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
InChIInChI=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)
InChIKRSUBLZIXDXICHJ-UHFFFAOYSA-N
TotalMolweight745.576
Molweight745.576
MonoisotopicMass744.026673
CLogP1.7619
CLogS-4.768
H Acceptors15
H Donors8
TotalSurfaceArea496.18
Relative PSA0.39377
PolarSurfaceArea260.71
Druglikeness2.4093
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.55102
Fragments1
Non HAtoms49
NonCHAtoms19
Electronegative Atoms19
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms4
Symmetricatoms4
Amides3
BasicNitrogens1
AcidicOxygens2
StereoCon

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