C1CCC2=C(C1)C=CC3=C2OC(C3)CN
名称: 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanamine
SMILES: C1CCC2=C(C1)C=CC3=C2OC(C3)CN

Molecular Processing

Molecular formula
C13H17NO
Molecular weight
203.28
Exact mass
203.131
XLogP
1.83
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
60.26

Supplementary Information

InChIKey: KDPZENNCKFDVPV-UHFFFAOYSA-N
同義語
SCHEMBL3290331KDPZENNCKFDVPV-UHFFFAOYSA-NL023860(+/-)-1-(2,3,6,7,8,9-hexahydronaphtho[1,2-b]furan-2-yl)methanamine
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