Chemical ID: 4260338

c1ccc2c(c1)nc(o2)c3ccc(c(c3)N)Cl
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

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Descriptor Annotations

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