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Chemical ID: 4259014
Chemical ID:
4259014
Name [?]:
3-(5,6-dimethylbenzooxazol-2-yl)aniline
SMILES [?]:
Cc1cc2c(cc1C)oc(n2)c3cccc(c3)N
InChi [?]:
InChI=1/C15H14N2O/c1-9-6-13-14(7-10(9)2)18-15(17-13)11-4-3-5-12(16)8-11/h3-8H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,14,13,15,3,6,17,2,7,12,16,4,5,10,18,11,9/rA:18nCCCCCCCCOCNCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s4d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18213 |
Area: | 426.766 |
Solvation: | -1.48702 |
Coulombic: | -32.5222 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 238.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.22 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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