Chemical ID: 6703538

Cc1c(ccc2c1NC(C3C2C=CC3)c4cccc(c4)OC)C(=O)[O-]
Chemical ID:
6703538
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1NC(C3C2C=CC3)c4cccc(c4)OC)C(=O)[O-]
InChi [?]:
InChI=1/C21H21NO3/c1-12-15(21(23)24)9-10-18-16-7-4-8-17(16)20(22-19(12)18)13-5-3-6-14(11-13)25-2/h3-7,9-11,16-17,20,22H,8H2,1-2H3,(H,23,24)/p-1
InChi Info:
AuxInfo=1/1/N:1,22,17,13,16,18,12,14,4,5,20,2,15,19,3,11,10,6,7,9,23,8,24,25,21/E:(23,24)/rA:25cCCCCCCCNCCCCCCCCCCCCOCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s6s10;s11;d12;s10s13;s9;s15;d16;s17;d18;d15s19;s19;s21;s3;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20NO3-
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:-31.7176
Area:520.073
Solvation:-44.7194
Coulombic:-20.7808
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.388
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.58
LogP (Chemaxon):3.72

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Descriptor Annotations

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