Chemical ID: 4110311

c1ccc(cc1)n2c3ccccc3c(c2Cl)C=O
Chemical ID:
4110311
Name [?]:
2-chloro-1-phenyl-indole-3-carbaldehyde
SMILES [?]:
c1ccc(cc1)n2c3ccccc3c(c2Cl)C=O
InChi [?]:
InChI=1/C15H10ClNO/c16-15-13(10-18)12-8-4-5-9-14(12)17(15)11-6-2-1-3-7-11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,3,5,12,9,17,4,13,14,8,15,16,7,18/E:(2,3)(6,7)/rA:18nCCCCCCNCCCCCCCCClCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s7d14;s15;s14;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.87209
Area:418.594
Solvation:-2.59277
Coulombic:-15.4811
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:255.699
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.29
LogP (Chemaxon):3.91

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