Chemical ID: 7393825

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCCO
Chemical ID:
7393825
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCCO
InChi [?]:
InChI=1/C22H20ClNO6/c1-11-8-16-13(10-14(11)23)20(27)18-19(12-4-5-15(26)17(9-12)29-2)24(6-3-7-25)22(28)21(18)30-16/h4-5,8-10,19,25-26H,3,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,28,19,20,27,29,3,23,6,2,18,5,7,21,4,22,11,17,9,12,14,8,16,30,26,10,15,24,13/rA:30cCCCCCCCClCOCCOCONCCCCCCCOCOCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s16;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20ClNO6
All Atoms:50
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.80602
Area:633.922
Solvation:-7.04204
Coulombic:-73.5151
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.85
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.43
LogP (Chemaxon):2.71

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Descriptor Annotations

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