Base information

Cat. No.
CAS No.7257-29-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C42H52N4O2++
Molecular Weight 644.888
Exact Mass 644.409
XLogP3 4.9036
Mr 205.882
PSA 46.94
Sequence -
Atom number 100
Bond number 111
Ring number 12
Rotor number 0
Residues number 0
Canonical smiles C/C=C\1/C[N+]2(C)CC[C@@]34[C@@H]2C[C@@H]1[C@@H]1[C@@H]2[C@H](N([C@]31O)c1c(C4)cccc1)[C@@H]1[C@@]3(N2c2ccccc2C[C@]23CC[N+]3([C@H]2C[C@H]1/C(=C\C)/C3)C)O

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