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Chemical ID: 4264519
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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