Chemical ID: 6836756

c1ccc2c(c1)ccc(c2C[NH+]3CCCC3)O
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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