이름: 4-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-3-methoxyaniline
SMILES:
COC1=C(C=CC(=C1)N)C2=CC=C(O2)C3=C(C=C(C=C3)N)OCMolecular Processing
Molecular formula
C18H18N2O3
Molecular weight
310.35
Exact mass
310.1317
XLogP
3.8
TPSA
83.64
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
91.51
Supplementary Information
InChIKey: XBMRXNGPOPXNQZ-UHFFFAOYSA-N
동의어
SCHEMBL3366607XBMRXNGPOPXNQZ-UHFFFAOYSA-N2,5-bis(4-amino-2-methoxyphenyl)furan
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