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Chemical ID: 5567565
Chemical ID:
5567565
Name [?]:
4-phenylisoxazol-5-amine
SMILES [?]:
c1ccc(cc1)c2cnoc2N
InChi [?]:
InChI=1/C9H8N2O/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,4,7,11,12,9,10/E:(2,3)(4,5)/rA:12nCCCCCCCCNOCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.0454 |
Area: | 319.443 |
Solvation: | -1.94068 |
Coulombic: | -22.0148 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 160.173 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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