Chemical ID: 5013174

c1cc(c(cc1O)CNC2CCCCC2)O
Chemical ID:
5013174
Name [?]:
2-(cyclohexylaminomethyl)benzene-1,4-diol
SMILES [?]:
c1cc(c(cc1O)CNC2CCCCC2)O
InChi [?]:
InChI=1/C13H19NO2/c15-12-6-7-13(16)10(8-12)9-14-11-4-2-1-3-5-11/h6-8,11,14-16H,1-5,9H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,15,1,2,5,8,4,10,6,3,9,7,16/E:(2,3)(4,5)/rA:16nCCCCCCOCNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;s10;s11;s12;s13;s10s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.65566
Area:408.324
Solvation:-2.55244
Coulombic:-41.7432
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.13
LogP (Chemaxon):2.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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