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Chemical ID: 5571621
Chemical ID:
5571621
Name [?]:
2,5-diphenylpentanoic acid
SMILES [?]:
c1ccc(cc1)CCCC(c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C17H18O2/c18-17(19)16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,2,6,13,15,8,3,5,7,12,16,9,4,11,10,17,18,19/E:(3,4)(5,6)(8,9)(11,12)(18,19)/rA:19cCCCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s10;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.63468 |
Area: | 469.095 |
Solvation: | -2.09269 |
Coulombic: | -30.4045 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 254.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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