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 : |