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Chemical ID: 7721223
Chemical ID:
7721223
Name [?]:
None
SMILES [?]:
Cc1c(nnn1c2ccc(cc2)Cl)C(=O)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C18H17ClN4O3/c1-11-17(21-22-23(11)13-6-4-12(19)5-7-13)18(24)20-15-9-8-14(25-2)10-16(15)26-3/h4-10H,1-3H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,26,24,9,11,8,12,19,18,21,2,10,7,20,17,22,3,14,13,16,4,5,6,15,25,23/E:(4,5)(6,7)/rA:26nCCCNNNCCCCCCClCONCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s3;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17ClN4O3 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3158 |
Area: | 579.781 |
Solvation: | -4.1787 |
Coulombic: | -41.8496 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.14 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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