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Chemical ID: 5162484
Chemical ID:
5162484
Name [?]:
None
SMILES [?]:
CC1=CCC2(C3=C(CC1C2=O)C(=O)CC(C3)(C)C)C
InChi [?]:
InChI=1/C17H22O2/c1-10-5-6-17(4)13-8-16(2,3)9-14(18)12(13)7-11(10)15(17)19/h5,11H,6-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,3,4,8,16,14,2,9,7,6,12,10,15,5,13,11/E:(2,3)/rA:19cCCCCCCCCCCOCOCCCCCC/rB:s1;d2;s3;s4;s5;d6;s7;s2s8;s5s9;d10;s7;d12;s12;s14;s6s15;s15;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.88025 |
Area: | 417.811 |
Solvation: | -2.56503 |
Coulombic: | -16.6292 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 258.355 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.9 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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