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Chemical ID: 4278207
Chemical ID:
4278207
Name [?]:
3-(azepan-1-ylmethyl)-1H-indole
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3
InChi [?]:
InChI=1/C15H20N2/c1-2-6-10-17(9-5-1)12-13-11-16-15-8-4-3-7-14(13)15/h3-4,7-8,11,16H,1-2,5-6,9-10,12H2
InChi Info:
AuxInfo=1/0/N:14,15,1,2,13,16,6,3,12,17,8,10,7,5,4,9,11/E:(1,2)(5,6)(9,10)/rA:17nCCCCCCCCNCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;s13;s14;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49544 |
Area: | 391.209 |
Solvation: | -1.28478 |
Coulombic: | -17.6369 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 228.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.07 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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