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Chemical ID: 4260340
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
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Experimental Annotations
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Descriptor Annotations
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