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C18H12N2O3Cl2 | Cheminformatics
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4-[(2Z)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid

Molecular Formula : C18H12N2O3Cl2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
4-[(2Z)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.

MolName : 4-[(2Z)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid

MolecularFormula : C18H12N2O3Cl2

Smiles : OC(c(cc1)ccc1N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1)=O

InChI : InChI=1S/C18H12Cl2N2O3/c19-12-3-7-15(16(20)9-12)17-8-6-14(25-17)10-21-22-13-4-1-11(2-5-13)18(23)24/h1-10,22H,(H,23,24)

InChIK : NQNDMCIERWBWTP-UHFFFAOYSA-N

TotalMolweight : 375.21

Molweight : 375.21

MonoisotopicMass : 374.022497

CLogP : 6.4769

CLogS : -6.094

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 273.63

Relative PSA : 0.23104

PolarSurfaceArea : 74.83

Druglikeness : 4.273

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 1

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon :

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1 - 4-[(2Z)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
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