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Chemical ID: 7260324
Chemical ID:
7260324
Name [?]:
2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylamino)-1-pyrrolidin-1-yl-propan-1-one
SMILES [?]:
CC(C(=O)N1CCCC1)Nc2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C15H20N2O3/c1-11(15(18)17-6-2-3-7-17)16-12-4-5-13-14(10-12)20-9-8-19-13/h4-5,10-11,16H,2-3,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,12,13,6,9,19,18,16,2,11,14,15,3,10,5,4,20,17/E:(2,3)(6,7)/rA:20cCCCONCCCCNCCCCCCOCCO/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s2;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O3 |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.62754 |
Area: | 462.424 |
Solvation: | -3.93306 |
Coulombic: | -44.1872 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.63 |
LogP (Chemaxon): | 0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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