COCC12CC(=CC(O1)(C=C2)COC)C3=CC=C(C=C3)N
Name: 4-[1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]aniline
SMILES: COCC12CC(=CC(O1)(C=C2)COC)C3=CC=C(C=C3)N

Molecular Processing

Molecular formula
C17H21NO3
Molecular weight
287.36
Exact mass
287.1521
XLogP
2.41
TPSA
53.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
82.89

Supplementary Information

InChIKey: KKGYLTUUVKWUJT-UHFFFAOYSA-N
Synonyme
SCHEMBL3655814KKGYLTUUVKWUJT-UHFFFAOYSA-N4-(1,5-Bis-methoxymethyl-8-oxa-bicyclo[3.2.1]octa-2, 6-dien-3-yl)-phenylamine
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