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Chemical ID: 6140129
Chemical ID:
6140129
Name [?]:
9H-carbazole-3-carboxylic acid
SMILES [?]:
c1ccc2c(c1)c3cc(ccc3[nH]2)C(=O)O
InChi [?]:
InChI=1/C13H9NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,11,8,9,5,7,4,12,14,13,15,16/E:(15,16)/rA:16nCCCCCCCCCCCCNCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s9;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55923 |
Area: | 377.053 |
Solvation: | -1.8671 |
Coulombic: | -39.968 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 211.216 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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