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Chemical ID: 4670079
Chemical ID:
4670079
Name [?]:
9-(1-methylpentyl)carbazole
SMILES [?]:
CCCCC(C)n1c2ccccc2c3c1cccc3
InChi [?]:
InChI=1/C18H21N/c1-3-4-9-14(2)19-17-12-7-5-10-15(17)16-11-6-8-13-18(16)19/h5-8,10-14H,3-4,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,11,18,10,17,4,12,19,9,16,5,13,14,8,15,7/E:(5,6)(7,8)(10,11)(12,13)(15,16)(17,18)/rA:19cCCCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s7s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3088 |
Area: | 457.948 |
Solvation: | -1.13991 |
Coulombic: | -9.7579 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.366 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.21 |
LogP (Chemaxon): | 6.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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