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Chemical ID: 4831307
Chemical ID:
4831307
Name [?]:
None
SMILES [?]:
CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)C
InChi [?]:
InChI=1/C15H15N5O2/c1-3-17-14(21)9-8-10-13(19(2)12(9)16)18-11-6-4-5-7-20(11)15(10)22/h4-8,16H,3H2,1-2H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,13,14,12,15,7,6,8,11,20,9,4,17,21,3,10,19,16,5,18/rA:22nCCNCOCCCCNCCCCCNCONCNC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s9;s6s19;w20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N5O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32196 |
Area: | 476.198 |
Solvation: | -2.58299 |
Coulombic: | -61.5147 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 297.312 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.3 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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