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Chemical ID: 6177183
Chemical ID:
6177183
Name [?]:
perylene
SMILES [?]:
c1cc2cccc3c2c(c1)c4cccc5c4c3ccc5
InChi [?]:
InChI=1/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
InChi Info:
AuxInfo=1/0/N:1,5,13,19,2,4,14,20,10,12,6,18,3,15,9,11,7,17,8,16/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)/rA:20nCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s11;d12;s13;d14;d11s15;s7s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93195 |
Area: | 405.021 |
Solvation: | -1.19358 |
Coulombic: | -4.62668 |
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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