Chemical ID: 4566368

c1ccc2c(c1)c3c([nH]2)C4(CCCCC4)NC(C3)C(=O)O
Chemical ID:
4566368
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4(CCCCC4)NC(C3)C(=O)O
InChi [?]:
InChI=1/C17H20N2O2/c20-16(21)14-10-12-11-6-2-3-7-13(11)18-15(12)17(19-14)8-4-1-5-9-17/h2-3,6-7,14,18-19H,1,4-5,8-10H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:13,1,2,12,14,6,3,11,15,18,5,7,4,17,8,19,10,9,16,20,21/E:(4,5)(8,9)(20,21)/rA:21cCCCCCCCCNCCCCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;s10;s16;s7s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.9326
Area:452.808
Solvation:-2.38759
Coulombic:-47.8885
Bond Count [?]
All:24
Single:19
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:284.353
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.53
LogP (Chemaxon):0.33

Name Annotations

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Descriptor Annotations

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