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Chemical ID: 4681337
Chemical ID:
4681337
Name [?]:
ethyl 4-phenethylaminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NCCc2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-2-20-17(19)15-8-10-16(11-9-15)18-13-12-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,16,20,7,11,8,10,14,13,15,6,9,4,12,5,3/E:(4,5)(6,7)(8,9)(10,11)/rA:20nCCOCOCCCCCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6908 |
Area: | 508.312 |
Solvation: | -2.01701 |
Coulombic: | -34.2821 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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