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Chemical ID: 6478573
Chemical ID:
6478573
Name [?]:
2,2-dimethyl-3,9-dihydro-1H-carbazol-4-one
SMILES [?]:
CC1(Cc2c(c3ccccc3[nH]2)C(=O)C1)C
InChi [?]:
InChI=1/C14H15NO/c1-14(2)7-11-13(12(16)8-14)9-5-3-4-6-10(9)15-11/h3-6,15H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,8,9,7,10,3,15,6,11,4,13,5,2,12,14/E:(1,2)/rA:16nCCCCCCCCCCCNCOCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s5;d13;s2s13;s2;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53821 |
Area: | 370.822 |
Solvation: | -1.73233 |
Coulombic: | -19.895 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 213.275 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.09 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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