Chemical ID: 7700586

CCCC(=O)Nc1cc(ccc1Cl)C(=O)OCC
Chemical ID:
7700586
Name [?]:
None
SMILES [?]:
CCCC(=O)Nc1cc(ccc1Cl)C(=O)OCC
InChi [?]:
InChI=1/C13H16ClNO3/c1-3-5-12(16)15-11-8-9(6-7-10(11)14)13(17)18-4-2/h6-8H,3-5H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,3,10,11,8,9,12,7,4,14,13,6,5,15,16/rA:18nCCCCONCCCCCCClCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s9;d14;s14;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16ClNO3
All Atoms:34
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:9.53599
Area:479.682
Solvation:-2.45605
Coulombic:-40.5961
Bond Count [?]
All:18
Single:13
Double:5
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.08
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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