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C16H13N2O3F | Cheminformatics

4-[(2Z)-2-(6-fluoro-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzoic acid

Molecular Formula : C16H13N2O3F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-[(2Z)-2-(6-fluoro-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzoic acid is a drug-like molecule.

MolName : 4-[(2Z)-2-(6-fluoro-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzoic acid

MolecularFormula : C16H13N2O3F

Smiles : OC(c(cc1)ccc1N/N=C1\c(cc(cc2)F)c2OCC1)=O

InChI : InChI=1S/C16H13FN2O3/c17-11-3-6-15-13(9-11)14(7-8-22-15)19-18-12-4-1-10(2-5-12)16(20)21/h1-6,9,18H,7-8H2,(H,20,21)

InChIK : COHOMUDYODPKAW-UHFFFAOYSA-N

TotalMolweight : 300.288

Molweight : 300.288

MonoisotopicMass : 300.091021

CLogP : 4.5105

CLogS : -3.97

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 221.92

Relative PSA : 0.26636

PolarSurfaceArea : 70.92

Druglikeness : -0.5755

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.59091

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon :

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