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Chemical ID: 5605970
Chemical ID:
5605970
Name [?]:
2-dimethylaminoethyl 4-benzoylbenzoate
SMILES [?]:
CN(C)CCOC(=O)c1ccc(cc1)C(=O)c2ccccc2
InChi [?]:
InChI=1/C18H19NO3/c1-19(2)12-13-22-18(21)16-10-8-15(9-11-16)17(20)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,21,18,22,11,13,10,14,4,5,17,12,9,15,7,2,16,8,6/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:22nCNCCCOCOCCCCCCCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0015 |
Area: | 513.749 |
Solvation: | -2.8422 |
Coulombic: | -36.1738 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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