Biemnadin
AlkaPlorer ID: AK000097
Synonym: None
IUPAC Name: (1S,10S)-12,19,29-triaza-16-azoniaoctacyclo[15.13.1.118,22.01,10.03,8.013,31.023,28.030,32]dotriaconta-3,5,7,13(31),16,18,20,22(32),23,25,27,29-dodecaen-9-one;chloride
Structure
SMILES: C1C[NH+]=C2C3=C1NC[C@@H]4[C@]3(CC5=CC=CC=C5C4=O)C6=NC7=CC=CC=C7C8=C6C2=NC=C8.[Cl-]
InChI: InChI=1S/C28H20N4O.ClH/c33-26-16-6-2-1-5-15(16)13-28-19(26)14-31-21-10-12-30-25(23(21)28)24-22-18(9-11-29-24)17-7-3-4-8-20(17)32-27(22)28;/h1-9,11,19,31H,10,12-14H2;1H/t19-,28-;/m0./s1
InChIKey: OLJRAUDFAINEQS-SLTDLNTMSA-N
Reference
PubChem CID: 171119376
Source
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Properties Information
Molecule Weight: 464.95600000000013
TPSA？: 68.85
MolLogP？: -0.7756999999999974
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 8
Activities Information
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