Chemical ID: 5695480

C[NH+]1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
Chemical ID:
5695480
Name [?]:
None
SMILES [?]:
C[NH+]1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
InChi [?]:
InChI=1/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,7,6,8,18,17,4,3,12,5,13,9,11,16,10,14,15,2,19,20/rA:20cCN+CCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;d14;s15;d16;d13s17;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18NO2+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:-23.0864
Area:409.008
Solvation:-33.3116
Coulombic:-2.61338
Bond Count [?]
All:23
Single:17
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:268.33
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.12
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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