Chemical ID: 6825910

CCOc1cc(ccc1OCC=C)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6)C
Chemical ID:
6825910
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCC=C)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6)C
InChi [?]:
InChI=1/C31H27NO7/c1-4-12-36-23-11-8-20(15-26(23)35-5-2)28-27-29(33)21-13-18(3)6-9-22(21)39-30(27)31(34)32(28)16-19-7-10-24-25(14-19)38-17-37-24/h4,6-11,13-15,28H,1,5,12,16-17H2,2-3H3
InChi Info:
AuxInfo=1/0/N:13,1,39,12,2,21,31,7,22,32,8,11,19,35,5,29,37,20,30,6,18,23,9,33,34,4,15,14,16,25,26,28,17,27,3,10,38,36,24/rA:39cCCOCCCCCCOCCCCCCOCCCCCCOCCONCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s6;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;d31;s32;d33;d30s34;s34;s36;s33s37;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H27NO7
All Atoms:66
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:9.44615
Area:696.352
Solvation:-7.96264
Coulombic:-67.3693
Bond Count [?]
All:44
Single:31
Double:13
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:525.549
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.92
LogP (Chemaxon):5.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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