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Chemical ID: 4260338
Chemical ID:
4260338
Name [?]:
5-benzooxazol-2-yl-2-chloro-aniline
SMILES [?]:
c1ccc2c(c1)nc(o2)c3ccc(c(c3)N)Cl
InChi [?]:
InChI=1/C13H9ClN2O/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,12,15,10,13,14,5,4,8,17,16,7,9/rA:17nCCCCCCNCOCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9ClN2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99499 |
Area: | 417.234 |
Solvation: | -1.43586 |
Coulombic: | -33.3953 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 244.676 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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