Chemical ID: 3968219

CC(c1ccc2c(c1)Cc3cccnc3O2)C(=O)O
Chemical ID:
3968219
Name [?]:
None
SMILES [?]:
CC(c1ccc2c(c1)Cc3cccnc3O2)C(=O)O
InChi [?]:
InChI=1/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,12,11,4,5,13,8,9,2,3,10,7,6,15,17,14,18,19,16/E:(17,18)/rA:19cCCCCCCCCCCCCCNCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s12;d13;d10s14;s6s15;s2;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.05137
Area:426.024
Solvation:-3.59922
Coulombic:-39.7498
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:255.269
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.35
LogP (Chemaxon):2.96

Name Annotations

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Descriptor Annotations

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