Chemical ID: 7114577

c1cc(sc1)c2cc(on2)N
Chemical ID:
7114577
Name [?]:
3-(2-thienyl)isoxazol-5-amine
SMILES [?]:
c1cc(sc1)c2cc(on2)N
InChi [?]:
InChI=1/C7H6N2OS/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,5,7,6,3,8,11,10,9,4/rA:11nCCCSCCCCONN/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d6s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N2OS
All Atoms:17
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.23875
Area:320.566
Solvation:-1.7754
Coulombic:-21.8219
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:166.201
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.3
LogP (Chemaxon):1.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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