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Chemical ID: 7701050
Chemical ID:
7701050
Name [?]:
None
SMILES [?]:
CCCOC(=O)c1ccc(c(c1)NC(=O)c2ccco2)Cl
InChi [?]:
InChI=1/C15H14ClNO4/c1-2-7-21-15(19)10-5-6-11(16)12(9-10)17-14(18)13-4-3-8-20-13/h3-6,8-9H,2,7H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,8,9,3,19,12,7,10,11,16,14,5,21,13,15,6,20,4/rA:21nCCCOCOCCCCCCNCOCCCCOCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO4 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1472 |
Area: | 516.735 |
Solvation: | -2.77121 |
Coulombic: | -50.852 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.03 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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