Chemical ID: 4260340

Cc1cc2c(cc1C)oc(n2)c3ccc(c(c3)N)Cl
Chemical ID:
4260340
Name [?]:
2-chloro-5-(5,6-dimethylbenzooxazol-2-yl)-aniline
SMILES [?]:
Cc1cc2c(cc1C)oc(n2)c3ccc(c(c3)N)Cl
InChi [?]:
InChI=1/C15H13ClN2O/c1-8-5-13-14(6-9(8)2)19-15(18-13)10-3-4-11(16)12(17)7-10/h3-7H,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,13,14,3,6,17,2,7,12,15,16,4,5,10,19,18,11,9/rA:19nCCCCCCCCOCNCCCCCCNCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s4d10;s10;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.0465
Area:457.533
Solvation:-1.3918
Coulombic:-33.0043
Bond Count [?]
All:21
Single:14
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:272.729
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.84
LogP (Chemaxon):4.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue