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Chemical ID: 5367371
Chemical ID:
5367371
Name [?]:
N-(1-ethyl-2-methyl-propylidene)amino-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-8-carboxamide
SMILES [?]:
CCC(=NNC(=O)C1COc2ccccc2O1)C(C)C
InChi [?]:
InChI=1/C15H20N2O3/c1-4-11(10(2)3)16-17-15(18)14-9-19-12-7-5-6-8-13(12)20-14/h5-8,10,14H,4,9H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,13,14,12,15,9,18,3,11,16,8,6,4,5,7,10,17/E:(2,3)/rA:20cCCCNNCOCCOCCCCCCOCCC/rB:s1;s2;w3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s8s16;s3;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.34728 |
Area: | 481.368 |
Solvation: | -4.68691 |
Coulombic: | -35.7135 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.75 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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