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Chemical ID: 7670380
Chemical ID:
7670380
Name [?]:
None
SMILES [?]:
CC(=O)N1CCc2c1ccc(c2)C(=O)O
InChi [?]:
InChI=1/C11H11NO3/c1-7(13)12-5-4-8-6-9(11(14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,9,6,5,12,2,7,11,8,13,4,3,14,15/E:(14,15)/rA:15nCCONCCCCCCCCCOO/rB:s1;d2;s2;s4;s5;s6;s4s7;d8;s9;d10;d7s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO3 |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.39934 |
Area: | 369.062 |
Solvation: | -2.82721 |
Coulombic: | -41.6642 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.88 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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