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Chemical ID: 6656724
Chemical ID:
6656724
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCc3ccccc3C2=CC(=O)O
InChi [?]:
InChI=1/C17H14O2/c18-17(19)11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,11H,9-10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,11,2,12,6,10,3,13,7,8,16,5,9,4,14,15,17,18,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(18,19)/rA:19nCCCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;d15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1624 |
Area: | 409.873 |
Solvation: | -2.08443 |
Coulombic: | -29.3306 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 250.292 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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