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Chemical ID: 6678908

Cc1c2c(c(c3c1c(ccc3O)Cl)O)C(=O)C4(C(C2)C(C(=C(C4=O)C(=O)N)O)N(C)C)O

Chemical ID:

6678908

Name [?]:

7-chloro-4-dimethylamino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

SMILES [?]:

Cc1c2c(c(c3c1c(ccc3O)Cl)O)C(=O)C4(C(C2)C(C(=C(C4=O)C(=O)N)O)N(C)C)O

InChi [?]:

InChI=1/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,16,26-28,32H,6H2,1-3H3,(H2,24,31)

InChi Info:

AuxInfo=1/1/N:1,30,31,9,10,19,2,3,18,8,11,7,4,6,22,20,5,21,15,23,25,17,13,27,29,12,14,28,16,24,26,32/E:(2,3)/rA:32cCCCCCCCCCCCOClOCOCCCCCCCOCONONCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s8;s5;s4;d15;s15;s17;s3s18;s18;s20;d21;s17s22;d23;s22;d25;s25;s21;s20;s29;s29;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁ClN₂O₇
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	3

ZAP Information [?]

Total:	7.91591
Area:	585.192
Solvation:	-6.7139
Coulombic:	-109.542

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	460.864
H-Bond Donors:	6
H-Bond Acceptors:	9
XLogP:	1.47
LogP (Chemaxon):	-1.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value