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Chemical ID: 4730654
Chemical ID:
4730654
Name [?]:
3-amino-2-ethyl-quinazolin-4-one
SMILES [?]:
CCc1nc2ccccc2c(=O)n1N
InChi [?]:
InChI=1/C10H11N3O/c1-2-9-12-8-6-4-3-5-7(8)10(14)13(9)11/h3-6H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,10,5,3,11,14,4,13,12/rA:14nCCCNCCCCCCCONN/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.10691 |
Area: | 347.305 |
Solvation: | -1.57571 |
Coulombic: | -33.553 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.214 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.51 |
LogP (Chemaxon): | 1.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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