CC12CCC(CC1(CCC2C=O)O)C3=CC=CC=C3
이름: (1S,3aS,5S,7aR)-3a-hydroxy-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-indene-1-carbaldehyde
SMILES: CC12CCC(CC1(CCC2C=O)O)C3=CC=CC=C3

Molecular Processing

Molecular formula
C17H22O2
Molecular weight
258.36
Exact mass
258.162
XLogP
3.3
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
74.88

Supplementary Information

InChIKey: IKSYAJBEUXVHRK-HZMVEIRTSA-N
동의어
SCHEMBL7300177IKSYAJBEUXVHRK-HZMVEIRTSA-N(1S,3aS,5S,7aR)-1-formyl-5-phenyl -7a-methylperhydroinden-3a-ol(1S,3aS,5S,7aR)-1-formyl-5-phenyl-7a-methylperhydroinden-3a-ol
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