CC1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)NC)C
Название: N,2,2-trimethyl-6-nitrochromene-4-carboxamide
SMILES: CC1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)NC)C

Molecular Processing

Molecular formula
C13H14N2O4
Molecular weight
262.26
Exact mass
262.0954
XLogP
1.9
TPSA
81.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
69.85

Supplementary Information

InChIKey: PHIPFVKBKRVXLC-UHFFFAOYSA-N
Синонимы
CHEMBL13928SCHEMBL8794716PHIPFVKBKRVXLC-UHFFFAOYSA-NN-methyl-6-nitro-2,2-dimethyl-2H-1-benzopyran-4-carboxamide
Источник →
Участвует в 6 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→