CCCCCCCCCCC(CCCCCCCC)CC1=C(CC(CCCCCCCC)CCCCCCCCCC)C(CCC#N)(CC(CCCCCCCC)CCCCCCCCCC)C=C1
SMILES: CCCCCCCCCCC(CCCCCCCC)CC1=C(CC(CCCCCCCC)CCCCCCCCCC)C(CCC#N)(CC(CCCCCCCC)CCCCCCCCCC)C=C1

Molecular Processing

Molecular formula
C68H129N
Molecular weight
960.79
Exact mass
960.0125
XLogP
25.01
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
56
Heavy atoms
69
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.926
Molar refractivity
313.43

Supplementary Information

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