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Chemical ID: 4965256
Chemical ID:
4965256
Name [?]:
2-chloro-5-isopropyl-1H-indole-3-carbaldehyde
SMILES [?]:
CC(C)c1ccc2c(c1)c(c([nH]2)Cl)C=O
InChi [?]:
InChI=1/C12H12ClNO/c1-7(2)8-3-4-11-9(5-8)10(6-15)12(13)14-11/h3-7,14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,6,9,14,2,4,8,10,7,11,13,12,15/E:(1,2)/rA:15nCCCCCCCCCCCNClCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s11;s10;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12ClNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50455 |
Area: | 392.453 |
Solvation: | -2.30679 |
Coulombic: | -19.5572 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.683 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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