Chemical ID: 5131437

c1ccc2c(c1)c3ccc(cc3[nH]2)C(=O)CCl
Chemical ID:
5131437
Name [?]:
1-(9H-carbazol-2-yl)-2-chloro-ethanone
SMILES [?]:
c1ccc2c(c1)c3ccc(cc3[nH]2)C(=O)CCl
InChi [?]:
InChI=1/C14H10ClNO/c15-8-14(17)9-5-6-11-10-3-1-2-4-12(10)16-13(11)7-9/h1-7,16H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,9,8,11,16,10,5,7,4,12,14,17,13,15/rA:17nCCCCCCCCCCCCNCOCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s10;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.60415
Area:418.182
Solvation:-2.8504
Coulombic:-19.8251
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:243.688
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.61
LogP (Chemaxon):3.74

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