Chemical ID: 4264519

c1ccc2c(c1)c3c([nH]2)C(NC(C3)C(=O)O)c4ccc(cc4)Cl
Chemical ID:
4264519
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(NC(C3)C(=O)O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C18H15ClN2O2/c19-11-7-5-10(6-8-11)16-17-13(9-15(21-16)18(22)23)12-3-1-2-4-14(12)20-17/h1-8,15-16,20-21H,9H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,22,19,21,13,17,20,5,7,4,12,10,8,14,23,9,11,15,16/E:(5,6)(7,8)(22,23)/rA:23cCCCCCCCCNCNCCCOOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s12;d14;s14;s10;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:10.0401
Area:514.934
Solvation:-2.83325
Coulombic:-48.8634
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.777
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.14
LogP (Chemaxon):1.71

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