[(Z)-2,3-dihydro-1-benzofuran-5-ylmethylideneamino] N-(4-chlorophenyl)carbamate
Molecular Formula : C16H13N2O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[(Z)-2,3-dihydro-1-benzofuran-5-ylmethylideneamino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
MolName : [(Z)-2,3-dihydro-1-benzofuran-5-ylmethylideneamino] N-(4-chlorophenyl)carbamate |
MolecularFormula : C16H13N2O3Cl |
Smiles : O=C(Nc(cc1)ccc1Cl)O/N=C\c(cc1)cc2c1OCC2 |
InChI : InChI=1S/C16H13ClN2O3/c17-13-2-4-14(5-3-13)19-16(20)22-18-10-11-1-6-15-12(9-11)7-8-21-15/h1-6,9-10H,7-8H2,(H,19,20) |
InChIK : LFNDPZLSDWSWLS-UHFFFAOYSA-N |
TotalMolweight : 316.743 |
Molweight : 316.743 |
MonoisotopicMass : 316.06147 |
CLogP : 4.7438 |
CLogS : -5.39 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 236.43 |
Relative PSA : 0.2369 |
PolarSurfaceArea : 59.92 |
Druglikeness : -6.6488 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
Amides : 1 |
StereoCon : |