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Chemical ID: 3965602
Chemical ID:
3965602
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5
InChi [?]:
InChI=1/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,13,6,12,14,3,10,9,20,19,7,11,15,5,8,4,18,16,17/rA:20nCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;d4s17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00656 |
Area: | 408.676 |
Solvation: | -1.21035 |
Coulombic: | -4.52097 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 252.309 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.41 |
LogP (Chemaxon): | 5.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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