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Chemical ID: 4774236
Chemical ID:
4774236
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3C=CC2C=C3
InChi [?]:
InChI=1/C12H10/c1-2-4-12-10-7-5-9(6-8-10)11(12)3-1/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,12,9,11,7,10,5,4/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)/rA:12nCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s9;s10;s7d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7959 |
Area: | 300.586 |
Solvation: | -0.718751 |
Coulombic: | -3.84856 |
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: | 4.07 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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