이름: 3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyaniline
SMILES:
COC1=C(C=C(C=C1)N)OC2CC3=CC=CC=C3C2Molecular Processing
Molecular formula
C16H17NO2
Molecular weight
255.32
Exact mass
255.1259
XLogP
2.82
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
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
0.25
Molar refractivity
75.67
Supplementary Information
InChIKey: NPAQRLZWQBPLSH-UHFFFAOYSA-N
동의어
SCHEMBL1157507NPAQRLZWQBPLSH-UHFFFAOYSA-N3-(2-indanyloxy)-4-methoxyaniline
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