Chemical ID: 5607801

c1cc(ccc1c2nc3ccc(cc3o2)N)Cl
Chemical ID:
5607801
Name [?]:
2-(4-chlorophenyl)benzooxazol-6-amine
SMILES [?]:
c1cc(ccc1c2nc3ccc(cc3o2)N)Cl
InChi [?]:
InChI=1/C13H9ClN2O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,10,13,6,3,12,9,14,7,17,16,8,15/E:(1,2)(3,4)/rA:17nCCCCCCCNCCCCCCONCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9ClN2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.08253
Area:421.861
Solvation:-1.46398
Coulombic:-32.8461
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

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