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Chemical ID: 7042319
Chemical ID:
7042319
Name [?]:
N-butyl-4,7,7-trimethyl-2,3-dioxo-norbornane-1-carboxamide
SMILES [?]:
CCCCNC(=O)C12CCC(C1(C)C)(C(=O)C2=O)C
InChi [?]:
InChI=1/C15H23NO3/c1-5-6-9-16-12(19)15-8-7-14(4,13(15,2)3)10(17)11(15)18/h5-9H2,1-4H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,13,14,19,2,3,10,9,4,15,17,6,12,11,8,5,16,18,7/E:(2,3)/rA:19cCCCCNCOCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8s11;s12;s12;s11;d15;s8s15;d17;s11;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO3 |
All Atoms: | 42 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.29307 |
Area: | 455.71 |
Solvation: | -3.09968 |
Coulombic: | -37.4758 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.85 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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