N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-4-nitroaniline
Molecular Formula : C15H12N3O3F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-4-nitroaniline is a drug-like molecule.
MolName : N-[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-4-nitroaniline |
MolecularFormula : C15H12N3O3F |
Smiles : [O-][N+](c(cc1)ccc1N/N=C1\c(cc(cc2)F)c2OCC1)=O |
InChI : InChI=1S/C15H12FN3O3/c16-10-1-6-15-13(9-10)14(7-8-22-15)18-17-11-2-4-12(5-3-11)19(20)21/h1-6,9,17H,7-8H2 |
InChIK : QFOCMFRJLRIILU-UHFFFAOYSA-N |
TotalMolweight : 301.276 |
Molweight : 301.276 |
MonoisotopicMass : 301.08627 |
CLogP : 4.1038 |
CLogS : -4.417 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 221.49 |
Relative PSA : 0.2862 |
PolarSurfaceArea : 79.44 |
Druglikeness : -5.8025 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.59091 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |