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Chemical ID: 7685642
Chemical ID:
7685642
Name [?]:
None
SMILES [?]:
Cc1c2c(n[nH]1)Oc3c(c4nc(nn4cn3)c5c(c(nn5C)C(F)(F)F)Cl)C2c6cnn(c6)C
InChi [?]:
InChI=1/C19H14ClF3N10O/c1-7-9-10(8-4-25-31(2)5-8)11-16-26-15(13-12(20)14(19(21,22)23)29-32(13)3)30-33(16)6-24-17(11)34-18(9)28-27-7/h4-6,10H,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,34,22,30,33,15,2,29,3,28,9,18,17,19,12,10,8,4,23,27,24,25,26,16,31,11,6,5,20,13,32,21,14,7/E:(21,22,23)/rA:34cCCCCNNOCCCNCNNCNCCCNNCCFFFClCCCNNCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;s11;d12;s10s13;s14;s8d15;s12;d17;s18;d19;s17s20;s21;s19;s23;s23;s23;s18;s3s9;s28;s29;d30;s31;d29s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClF3N10O |
All Atoms: | 48 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.16462 |
Area: | 582.008 |
Solvation: | -5.38557 |
Coulombic: | -60.5206 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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