Chemical ID: 4389800

CC1(c2c(c3ccccc3[nH]2)-c4c(ccc5c4oc(=O)cc5)O1)C
Chemical ID:
4389800
Name [?]:
None
SMILES [?]:
CC1(c2c(c3ccccc3[nH]2)-c4c(ccc5c4oc(=O)cc5)O1)C
InChi [?]:
InChI=1/C20H15NO3/c1-20(2)19-16(12-5-3-4-6-13(12)21-19)17-14(24-20)9-7-11-8-10-15(22)23-18(11)17/h3-10,21H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,7,8,6,9,15,22,14,21,16,5,10,13,19,4,12,17,3,2,11,20,18,23/E:(1,2)/rA:24nCCCCCCCCCCNCCCCCCOCOCCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s16d21;s2s13;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.54452
Area:459.984
Solvation:-2.95507
Coulombic:-39.5506
Bond Count [?]
All:28
Single:19
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:317.338
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.03
LogP (Chemaxon):3.93

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Descriptor Annotations

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