COC(=O)C(C)=CC1C=CC(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)=CC1
SMILES: COC(=O)C(C)=CC1C=CC(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)=CC1

Molecular Processing

Molecular formula
C30H37NO3
Molecular weight
459.63
Exact mass
459.2773
XLogP
5.88
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
136.76

Supplementary Information

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