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Chemical ID: 5703842
Chemical ID:
5703842
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)C(CC3([NH2+]2)CCCCC3)C
InChi [?]:
InChI=1/C16H23N/c1-12-6-7-15-14(10-12)13(2)11-16(17-15)8-4-3-5-9-16/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,17,14,13,15,3,4,12,16,7,9,2,8,6,5,10,11/E:(4,5)(8,9)/rA:17cCCCCCCCCCCN+CCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s5s10;s10;s12;s13;s14;s10s15;s8;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N+ |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -19.4451 |
Area: | 398.398 |
Solvation: | -29.405 |
Coulombic: | 31.3259 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 230.368 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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