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Chemical ID: 4975151
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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