Cc1cc2ccc(C#CC3(N)CCCCC3)cc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O
SMILES: Cc1cc2ccc(C#CC3(N)CCCCC3)cc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

Molecular Processing

Molecular formula
C31H34ClNO3
Molecular weight
504.07
Exact mass
503.2227
XLogP
7.42
TPSA
72.55
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
147.23

Supplementary Information

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