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Chemical ID: 7442420
Chemical ID:
7442420
Name [?]:
1-(9H-fluoren-2-yl)pyrrole
SMILES [?]:
c1ccc-2c(c1)Cc3c2ccc(c3)n4cccc4
InChi [?]:
InChI=1/C17H13N/c1-2-6-16-13(5-1)11-14-12-15(7-8-17(14)16)18-9-3-4-10-18/h1-10,12H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,16,17,6,3,11,10,15,18,7,13,5,8,12,4,9,14/E:(3,4)(9,10)/rA:18nCCCCCCCCCCCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s10;d11;d8s12;s12;s14;d15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13N |
All Atoms: | 31 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75074 |
Area: | 413.118 |
Solvation: | -1.57721 |
Coulombic: | -7.38724 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 231.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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