CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NCCN
Name: cholesterol ethylenediamine
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NCCN

Molecular Processing

Molecular formula
C29H54N2O
Molecular weight
446.76
Exact mass
446.4236
XLogP
6.29
TPSA
72.27
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.931
Molar refractivity
137.16

Supplementary Information

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