Chemical ID: 6882687

c1cc(cc(c1)Cl)NC(=O)COc2ccc3c(c2)oc(=O)c4c3CCC4
Chemical ID:
6882687
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)COc2ccc3c(c2)oc(=O)c4c3CCC4
InChi [?]:
InChI=1/C20H16ClNO4/c21-12-3-1-4-13(9-12)22-19(23)11-25-14-7-8-16-15-5-2-6-17(15)20(24)26-18(16)10-14/h1,3-4,7-10H,2,5-6,11H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,6,2,24,26,14,15,4,18,11,5,3,13,23,16,22,17,9,20,7,8,10,21,12,19/rA:26nCCCCCCClNCOCOCCCCCCOCOCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s16d22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16ClNO4
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.12479
Area:577.432
Solvation:-5.311
Coulombic:-46.7165
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:369.798
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.57
LogP (Chemaxon):4.29

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Descriptor Annotations

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