Chemical ID: 7400865

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCO
Chemical ID:
7400865
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCO
InChi [?]:
InChI=1/C21H18ClNO6/c1-10-7-15-12(9-13(10)22)19(26)17-18(11-3-4-14(25)16(8-11)28-2)23(5-6-24)21(27)20(17)29-15/h3-4,7-9,18,24-25H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,19,20,27,28,3,23,6,2,18,5,7,21,4,22,11,17,9,12,14,8,16,29,26,10,15,24,13/rA:29cCCCCCCCClCOCCOCONCCCCCCCOCOCCO/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18ClNO6
All Atoms:47
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.60846
Area:599.83
Solvation:-6.38728
Coulombic:-74.0061
Bond Count [?]
All:32
Single:23
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:415.823
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.07
LogP (Chemaxon):2.66

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Descriptor Annotations

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