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Chemical ID: 4554857
Chemical ID:
4554857
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2C3CCCCC3=C4CCCCC4(O2)O
InChi [?]:
InChI=1/C19H24O2/c20-19-13-7-6-12-17(19)15-10-4-5-11-16(15)18(21-19)14-8-2-1-3-9-14/h1-3,8-9,16,18,20H,4-7,10-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,16,17,3,5,12,9,15,18,4,13,8,14,7,19,21,20/E:(2,3)(8,9)/rA:21cCCCCCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;d13;s14;s15;s16;s17;s14s18;s7s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.17194 |
Area: | 448.184 |
Solvation: | -2.03265 |
Coulombic: | -29.9658 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 284.393 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.4 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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