COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)F)OCC1
이름: methyl 7-(4-fluorophenyl)-2,3-dihydro-1-benzoxepine-4-carboxylate
SMILES: COC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)F)OCC1

Molecular Processing

Molecular formula
C18H15FO3
Molecular weight
298.31
Exact mass
298.1005
XLogP
3.83
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
81.94

Supplementary Information

InChIKey: QNVQVTCYILZQLN-UHFFFAOYSA-N
동의어
SCHEMBL7685102QNVQVTCYILZQLN-UHFFFAOYSA-Nmethyl 7-(4-fluoro-phenyl)-2,3-dihydro-1-benzoxepine-4-carboxylatemethyl 7-(4-fluorophenyl)-2,3-dihydro-1-benzoxepine-4-carboxylate
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