Chemical ID: 4911434

c1ccc(cc1)c2cc-3c(n2c4ccc(c(c4)C(=O)O)O)CCc5c3cccc5
Chemical ID:
4911434
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2cc-3c(n2c4ccc(c(c4)C(=O)O)O)CCc5c3cccc5
InChi [?]:
InChI=1/C25H19NO3/c27-24-13-11-18(14-21(24)25(28)29)26-22-12-10-16-6-4-5-9-19(16)20(22)15-23(26)17-7-2-1-3-8-17/h1-9,11,13-15,27H,10,12H2,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,28,27,29,3,5,26,23,13,22,14,17,8,24,4,12,25,9,16,10,7,15,18,11,21,19,20/E:(2,3)(7,8)(28,29)/rA:29nCCCCCCCCCCNCCCCCCCOOOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s10;s22;s23;s9s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19NO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.7984
Area:571.874
Solvation:-3.49847
Coulombic:-51.2309
Bond Count [?]
All:33
Single:21
Double:12
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:381.423
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.82
LogP (Chemaxon):5.77

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Descriptor Annotations

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