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Chemical ID: 4665883
Chemical ID:
4665883
Name [?]:
3-butyl-9H-carbazole
SMILES [?]:
CCCCc1ccc2c(c1)c3ccccc3[nH]2
InChi [?]:
InChI=1/C16H17N/c1-2-3-6-12-9-10-16-14(11-12)13-7-4-5-8-15(13)17-16/h4-5,7-11,17H,2-3,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,13,14,4,12,15,6,7,10,5,11,9,16,8,17/rA:17nCCCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d14;d11s15;s8s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52245 |
Area: | 422.65 |
Solvation: | -1.0438 |
Coulombic: | -14.2697 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 223.313 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.57 |
LogP (Chemaxon): | 5.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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