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Chemical ID: 4221303
Chemical ID:
4221303
Name [?]:
(4-phenylphenyl) hexanoate
SMILES [?]:
CCCCCC(=O)Oc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C18H20O2/c1-2-3-5-10-18(19)20-17-13-11-16(12-14-17)15-8-6-4-7-9-15/h4,6-9,11-14H,2-3,5,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,18,4,17,19,16,20,5,11,13,10,14,15,12,9,6,7,8/E:(6,7)(8,9)(11,12)(13,14)/rA:20nCCCCCCOOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6907 |
Area: | 505.359 |
Solvation: | -1.94325 |
Coulombic: | -21.5099 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 268.35 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.71 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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