C1COC2=CC=CC(=C2N1)C(=O)C3=CC=CC=C3
이름: 3,4-dihydro-2H-1,4-benzoxazin-5-yl(phenyl)methanone
SMILES: C1COC2=CC=CC(=C2N1)C(=O)C3=CC=CC=C3

Molecular Processing

Molecular formula
C15H13NO2
Molecular weight
239.27
Exact mass
239.0946
XLogP
2.72
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
70.3

Supplementary Information

InChIKey: NAMVDLRHOSWCQQ-UHFFFAOYSA-N
동의어
SCHEMBL9119474NAMVDLRHOSWCQQ-UHFFFAOYSA-N5-benzoyl-3,4-dihydro-2H-1,4-benzoxazine
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