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Chemical ID: 7729517
Chemical ID:
7729517
Name [?]:
None
SMILES [?]:
CC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C15H15N5O4/c1-9(21)7-19-8-16-14-13(15(19)22)17-18-20(14)10-4-5-11(23-2)12(6-10)24-3/h4-6,8H,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,16,17,20,4,6,2,15,18,19,9,8,10,7,12,13,5,14,3,11,23,21/rA:24nCCOCNCNCCCONNNCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s5s9;d10;s9;d12;s8s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N5O4 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.91954 |
Area: | 521.52 |
Solvation: | -7.11846 |
Coulombic: | -46.3728 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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