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Chemical ID: 4793479
Chemical ID:
4793479
Name [?]:
6-[bis(2-methoxyethyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
SMILES [?]:
COCCN(CCOC)C(=O)C1C2CC(C1C(=O)O)C=C2
InChi [?]:
InChI=1/C15H23NO5/c1-20-7-5-16(6-8-21-2)14(17)12-10-3-4-11(9-10)13(12)15(18)19/h3-4,10-13H,5-9H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,9,21,20,4,6,3,7,14,13,15,12,16,10,17,5,11,18,19,2,8/E:(1,2)(5,6)(7,8)(18,19)(20,21)/rA:21cCOCCNCCOCCOCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s15;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO5 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 4.7976 |
Area: | 458.085 |
Solvation: | -6.65454 |
Coulombic: | -55.0971 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 297.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | -0.19 |
LogP (Chemaxon): | -0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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