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Chemical ID: 5575172
Chemical ID:
5575172
Name [?]:
2-methyl-3-phenyl-1H-indole
SMILES [?]:
Cc1c(c2ccccc2[nH]1)c3ccccc3
InChi [?]:
InChI=1/C15H13N/c1-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)16-11/h2-10,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,6,7,12,16,5,8,2,11,4,9,3,10/E:(3,4)(7,8)/rA:16nCCCCCCCCCNCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49742 |
Area: | 383.99 |
Solvation: | -1.10233 |
Coulombic: | -13.9071 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 207.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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