celtisine
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celtisine
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CAS No:
91106-25-1
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Formula:
C18H19NO4
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Chemical Name:
celtisine
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Synonyms:
celtisine;CHEMBL452776;DTXSID50919956;BDBM50292460;10-Methoxy-1-methyl-2,3,12,12a-tetrahydro-1H-[1]benzoxepino[2,3,4-ij]isoquinoline-6,9-diol;1H-(1)Benzoxepino(2,3,4-ij)isoquinoline-6,9-diol, 2,3,12,12a-tetrahydro-10-methoxy-1-methyl-, (S)-
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CAS No:
Computed Properties
Molecular Weight:313.3
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:313.13140809
Monoisotopic Mass:313.13140809
Topological Polar Surface Area:62.2
Heavy Atom Count:23
Complexity:433
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes