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Chemical ID: 4577776
Chemical ID:
4577776
Name [?]:
9-(1-isopropoxybutyl)carbazole
SMILES [?]:
CCCC(n1c2ccccc2c3c1cccc3)OC(C)C
InChi [?]:
InChI=1/C19H23NO/c1-4-9-19(21-14(2)3)20-17-12-7-5-10-15(17)16-11-6-8-13-18(16)20/h5-8,10-14,19H,4,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,21,2,9,16,8,15,3,10,17,7,14,19,11,12,6,13,4,5,18/E:(2,3)(5,6)(7,8)(10,11)(12,13)(15,16)(17,18)/rA:21cCCCCNCCCCCCCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;d13;s14;d15;d12s16;s4;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1778 |
Area: | 486.772 |
Solvation: | -1.99149 |
Coulombic: | -17.5719 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.05 |
LogP (Chemaxon): | 6.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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