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Chemical ID: 4973526
Chemical ID:
4973526
Name [?]:
2-(3,4-dichlorophenyl)-5-fluoro-1H-indole-3-carbaldehyde
SMILES [?]:
c1cc(c(cc1c2c(c3cc(ccc3[nH]2)F)C=O)Cl)Cl
InChi [?]:
InChI=1/C15H8Cl2FNO/c16-12-3-1-8(5-13(12)17)15-11(7-20)10-6-9(18)2-4-14(10)19-15/h1-7,19H
InChi Info:
AuxInfo=1/0/N:1,12,2,13,5,10,17,6,11,9,8,3,4,14,7,20,19,16,15,18/rA:20nCCCCCCCCCCCCCCNFCOClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;s8;d17;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H8Cl2FNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43562 |
Area: | 468.378 |
Solvation: | -3.27384 |
Coulombic: | -23.2066 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 308.134 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.15 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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