Chemical ID: 5127201

CC1(c2cccc(c2C(=O)C3=C(C4(C(CC31)CC(=C(C4=O)C(=O)N)O)O)O)O)O
Chemical ID:
5127201
Name [?]:
3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
SMILES [?]:
CC1(c2cccc(c2C(=O)C3=C(C4(C(CC31)CC(=C(C4=O)C(=O)N)O)O)O)O)O
InChi [?]:
InChI=1/C20H19NO8/c1-19(28)8-3-2-4-10(22)12(8)15(24)13-9(19)5-7-6-11(23)14(18(21)27)17(26)20(7,29)16(13)25/h2-4,7,9,22-23,25,28-29H,5-6H2,1H3,(H2,21,27)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,15,17,14,3,16,7,18,8,11,19,9,12,20,22,2,13,24,28,25,10,27,21,23,29,26/rA:29cCCCCCCCCCOCCCCCCCCCCOCONOOOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;d11;s12;s13;s14;s2s11s15;s14;s17;d18;s13s19;d20;s19;d22;s22;s18;s13;s12;s7;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO8
All Atoms:29
Heavy Atoms:29
Chiral Atoms:4
ZAP Information [?]
Total:4.94359
Area:533.787
Solvation:-8.40107
Coulombic:-119.926
Bond Count [?]
All:32
Single:24
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:401.367
H-Bond Donors:7
H-Bond Acceptors:9
XLogP:-0.73
LogP (Chemaxon):-1.61

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Descriptor Annotations

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