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Chemical ID: 5476403
Chemical ID:
5476403
Name [?]:
None
SMILES [?]:
CCN1Cc2nc3ccccc3c(=O)n2C=C1C
InChi [?]:
InChI=1/C14H15N3O/c1-3-16-9-13-15-12-7-5-4-6-11(12)14(18)17(13)8-10(16)2/h4-8H,3,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,10,9,11,8,16,4,17,12,7,5,13,6,3,15,14/rA:18cCCNCCNCCCCCCCONCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;d13;s5s13;s15;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.5022 |
Area: | 409.85 |
Solvation: | -1.74405 |
Coulombic: | -28.6429 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 241.289 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.93 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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