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Chemical ID: 3969443
Chemical ID:
3969443
Name [?]:
acenaphthene
SMILES [?]:
c1cc2cccc3c2c(c1)CC3
InChi [?]:
InChI=1/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,6,11,12,3,9,7,8/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:12nCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.8134 |
Area: | 301.63 |
Solvation: | -0.727349 |
Coulombic: | -2.43179 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 154.208 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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