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Chemical ID: 7701325
Chemical ID:
7701325
Name [?]:
None
SMILES [?]:
CC(C)C(=O)Nc1cc(ccc1Cl)C(=O)OC
InChi [?]:
InChI=1/C12H14ClNO3/c1-7(2)11(15)14-10-6-8(12(16)17-3)4-5-9(10)13/h4-7H,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,17,10,11,8,2,9,12,7,4,14,13,6,5,15,16/E:(1,2)/rA:17nCCCCONCCCCCCClCOOC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s9;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14ClNO3 |
All Atoms: | 31 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.63087 |
Area: | 444.417 |
Solvation: | -2.47956 |
Coulombic: | -40.5658 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.38 |
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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