Chemical ID: 7389996

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)CCCO
Chemical ID:
7389996
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)CCCO
InChi [?]:
InChI=1/C21H18ClNO5/c1-11-8-16-14(10-15(11)22)19(26)17-18(12-4-2-5-13(25)9-12)23(6-3-7-24)21(27)20(17)28-16/h2,4-5,8-10,18,24-25H,3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,26,19,21,25,27,3,23,6,2,18,22,5,7,4,11,17,9,12,14,8,16,28,24,10,15,13/rA:28cCCCCCCCClCOCCOCONCCCCCCCOCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18ClNO5
All Atoms:46
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.5969
Area:600.985
Solvation:-5.42773
Coulombic:-66.9319
Bond Count [?]
All:31
Single:22
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:399.824
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.51
LogP (Chemaxon):2.97

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