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Chemical ID: 6836756
Chemical ID:
6836756
Name [?]:
1-(2,3,4,5-tetrahydropyrrol-1-ylmethyl)naphthalen-2-ol
SMILES [?]:
c1ccc2c(c1)ccc(c2C[NH+]3CCCC3)O
InChi [?]:
InChI=1/C15H17NO/c17-15-8-7-12-5-1-2-6-13(12)14(15)11-16-9-3-4-10-16/h1-2,5-8,17H,3-4,9-11H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,14,15,6,3,7,8,13,16,11,5,4,10,9,12,17/E:(3,4)(9,10)/rA:17nCCCCCCCCCCCN+CCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s14;s12s15;s9;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18NO+ |
All Atoms: | 35 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.3335 |
Area: | 396.544 |
Solvation: | -29.2471 |
Coulombic: | 9.87422 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 228.31 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.14 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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