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Chemical ID: 4215114
Chemical ID:
4215114
Name [?]:
6-isopropyl-2,3,4,9-tetrahydrocarbazol-1-one
SMILES [?]:
CC(C)c1ccc2c(c1)c3c([nH]2)C(=O)CCC3
InChi [?]:
InChI=1/C15H17NO/c1-9(2)10-6-7-13-12(8-10)11-4-3-5-14(17)15(11)16-13/h6-9,16H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,15,5,6,9,2,4,10,8,7,13,11,12,14/E:(1,2)/rA:17nCCCCCCCCCCCNCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s11;d13;s13;s15;s10s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22405 |
Area: | 408.085 |
Solvation: | -1.97809 |
Coulombic: | -20.2688 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 227.302 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.39 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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