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Chemical ID: 6595365
Chemical ID:
6595365
Name [?]:
pyrrolidin-1-ylcarbonylmethyl 4-diethylaminobenzoate
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)OCC(=O)N2CCCC2
InChi [?]:
InChI=1/C17H24N2O3/c1-3-18(4-2)15-9-7-14(8-10-15)17(21)22-13-16(20)19-11-5-6-12-19/h7-10H,3-6,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,20,21,8,10,7,11,19,22,15,9,6,16,12,3,18,17,13,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:22nCCNCCCCCCCCCOOCCONCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2193 |
Area: | 539.094 |
Solvation: | -3.25807 |
Coulombic: | -42.8579 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 304.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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