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Chemical ID: 7678101
Chemical ID:
7678101
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2c3c(c(=O)n(cn3)Cc4ccccc4C)nn2
InChi [?]:
InChI=1/C19H17N5O/c1-13-7-9-16(10-8-13)24-18-17(21-22-24)19(25)23(12-20-18)11-15-6-4-3-5-14(15)2/h3-10,12H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,20,19,21,18,3,7,4,6,16,14,2,22,17,5,10,9,11,15,24,25,13,8,12/E:(7,8)(9,10)/rA:25nCCCCCCCNCCCONCNCCCCCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;s17;d18;s19;d20;d17s21;s22;s10;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N5O |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8272 |
Area: | 523.791 |
Solvation: | -2.2676 |
Coulombic: | -30.1653 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.05 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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