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Chemical ID: 4952779
Chemical ID:
4952779
Name [?]:
2-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILES [?]:
CC1CCc2c3ccccc3[nH]c2C1
InChi [?]:
InChI=1/C13H15N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-5,9,14H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,3,4,14,2,6,5,11,13,12/rA:14cCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d5s12;s2s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.76433 |
Area: | 347.264 |
Solvation: | -0.917266 |
Coulombic: | -12.548 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 185.265 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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