Chemical ID: 4975151

c1ccc2c(c1)c(c([nH]2)c3cccc(c3)Cl)C=O
Chemical ID:
4975151
Name [?]:
2-(3-chlorophenyl)-1H-indole-3-carbaldehyde
SMILES [?]:
c1ccc2c(c1)c(c([nH]2)c3cccc(c3)Cl)C=O
InChi [?]:
InChI=1/C15H10ClNO/c16-11-5-3-4-10(8-11)15-13(9-18)12-6-1-2-7-14(12)17-15/h1-9,17H
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,6,3,15,17,10,14,5,7,4,8,16,9,18/rA:18nCCCCCCCCNCCCCCCClCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s12;d13;d10s14;s14;s7;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.61621
Area:433.373
Solvation:-2.2181
Coulombic:-20.7375
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:4.36
LogP (Chemaxon):4.09

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Descriptor Annotations

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