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Chemical ID: 4558876
Chemical ID:
4558876
Name [?]:
1,2,3,9-tetrahydrocarbazol-4-one
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)CCCC3=O
InChi [?]:
InChI=1/C12H11NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-2,4-5,13H,3,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,11,6,3,10,12,5,4,8,13,7,9,14/rA:14nCCCCCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.63488 |
Area: | 337.547 |
Solvation: | -1.80379 |
Coulombic: | -19.1629 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 185.222 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.98 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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