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Chemical ID: 6674015
Chemical ID:
6674015
Name [?]:
2,2-diphenylheptanoic acid
SMILES [?]:
CCCCCC(c1ccccc1)(c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C19H22O2/c1-2-3-10-15-19(18(20)21,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,10,16,9,11,15,17,4,8,12,14,18,5,7,13,19,6,20,21/E:(4,5)(6,7,8,9)(11,12,13,14)(16,17)(20,21)/rA:21nCCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s6;s13;d14;s15;d16;d13s17;s6;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4099 |
Area: | 488.176 |
Solvation: | -1.7945 |
Coulombic: | -32.4165 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 282.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.1 |
LogP (Chemaxon): | 5.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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