Chemical ID: 6825970

CCOc1cc(ccc1O)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccccc5)Br
Chemical ID:
6825970
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccccc5)Br
InChi [?]:
InChI=1/C26H20BrNO5/c1-2-32-21-12-16(8-10-19(21)29)23-22-24(30)18-13-17(27)9-11-20(18)33-25(22)26(31)28(23)14-15-6-4-3-5-7-15/h3-13,23,29H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,29,31,28,32,7,18,8,19,5,16,26,27,6,17,15,9,20,4,12,11,13,22,23,33,25,10,14,24,3,21/E:(4,5)(6,7)/rA:33cCCOCCCCCCOCCCOCCCCCCOCCONCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H20BrNO5
All Atoms:53
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.1231
Area:628.041
Solvation:-5.57796
Coulombic:-59.5104
Bond Count [?]
All:37
Single:25
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:506.345
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.86
LogP (Chemaxon):5.03

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Descriptor Annotations

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