C1=CC=C2C(=C1)C=CNO2
Name: 2H-1,2-benzoxazine
SMILES: C1=CC=C2C(=C1)C=CNO2

Molecular Processing

Molecular formula
C8H7NO
Molecular weight
133.15
Exact mass
133.0528
XLogP
1.55
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
39.24

Supplementary Information

InChIKey: CMLFRMDBDNHMRA-UHFFFAOYSA-N
Synonyme
BENZOXAZINEBenzoxazinesBenzoxazinoidRefChem:916967CHEBI:46969Benzoxazinone2H-1,2-BenzoxazineSCHEMBL5549SCHEMBL8924SCHEMBL23400SCHEMBL248035SCHEMBL444399SCHEMBL2987748SCHEMBL3586225SCHEMBL3662203SCHEMBL3984234SCHEMBL29804885
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