Chemical ID: 5567565

c1ccc(cc1)c2cnoc2N
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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