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Chemical ID: 6635202
Chemical ID:
6635202
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc-3c2CCc4c3[nH]c5c4cccc5
InChi [?]:
InChI=1/C20H15N/c1-2-6-14-13(5-1)9-10-17-15(14)11-12-18-16-7-3-4-8-19(16)21-20(17)18/h1-10,21H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,19,20,6,3,18,21,7,8,11,12,5,4,10,17,9,13,16,14,15/rA:21nCCCCCCCCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s9d13;s14;s15;s13s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15N |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60593 |
Area: | 440.803 |
Solvation: | -1.41414 |
Coulombic: | -14.352 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 269.34 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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