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872473-09-1 molecular structure
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7-iodo-1H,2H,3H,4H-cyclopenta[b]indole

ChemBase ID: 292653
Molecular Formular: C11H10IN
Molecular Mass: 283.10827
Monoisotopic Mass: 282.98579733
SMILES and InChIs

SMILES:
Ic1cc2c([nH]c3c2CCC3)cc1
Canonical SMILES:
Ic1ccc2c(c1)c1CCCc1[nH]2
InChI:
InChI=1S/C11H10IN/c12-7-4-5-11-9(6-7)8-2-1-3-10(8)13-11/h4-6,13H,1-3H2
InChIKey:
BBQMRHPBVQMRKE-UHFFFAOYSA-N

Cite this record

CBID:292653 http://www.chembase.cn/molecule-292653.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-iodo-1H,2H,3H,4H-cyclopenta[b]indole
IUPAC Traditional name
7-iodo-1H,2H,3H,4H-cyclopenta[b]indole
Synonyms
7-Iodo-1,2,3,4-tetrahydrocyclopenta[b]indole
CAS Number
872473-09-1
PubChem SID
180678184
PubChem CID
4770201

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241511 Please log in.
Data Source Data ID
PubChem 4770201 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.190676  H Acceptors
H Donor LogD (pH = 5.5) 3.7727315 
LogD (pH = 7.4) 3.7727315  Log P 3.7727315 
Molar Refractivity 63.4197 cm3 Polarizability 25.137371 Å3
Polar Surface Area 15.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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