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Chemical ID: 6684308
Chemical ID:
6684308
Name [?]:
1-biphenylen-2-ylethanone
SMILES [?]:
CC(=O)c1ccc2=c3ccccc3=c2c1
InChi [?]:
InChI=1/C14H10O/c1-9(15)10-6-7-13-11-4-2-3-5-12(11)14(13)8-10/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,5,6,15,2,4,8,13,7,14,3/rA:15nCCOCCCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;s8;d9;s10;d11;s8s12;s7d13;d4s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42116 |
Area: | 370.134 |
Solvation: | -1.83218 |
Coulombic: | -9.63711 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 194.229 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.72 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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