Chemical ID: 7691406

COc1ccc(cc1Cl)NC(=O)C2C3CC(C2C(=O)O)C=C3
Chemical ID:
7691406
Name [?]:
None
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)C2C3CC(C2C(=O)O)C=C3
InChi [?]:
InChI=1/C16H16ClNO4/c1-22-12-5-4-10(7-11(12)17)18-15(19)13-8-2-3-9(6-8)14(13)16(20)21/h2-5,7-9,13-14H,6H2,1H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,21,5,4,15,7,14,16,6,8,3,13,17,11,18,9,10,12,19,20,2/E:(20,21)/rA:22cCOCCCCCCClNCOCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;s13s16;s17;d18;s18;s16;s14d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16ClNO4
All Atoms:38
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:7.69555
Area:481.406
Solvation:-4.33959
Coulombic:-53.5742
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.15
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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