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Chemical ID: 7690376
Chemical ID:
7690376
Name [?]:
None
SMILES [?]:
c1cc2c(cc1c3cn4cc(ccc4n3)Cl)OCCO2
InChi [?]:
InChI=1/C15H11ClN2O2/c16-11-2-4-15-17-12(9-18(15)8-11)10-1-3-13-14(7-10)20-6-5-19-13/h1-4,7-9H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,12,2,13,19,18,5,10,8,6,11,7,3,4,14,16,15,9,20,17/rA:20nCCCCCCCCNCCCCCNClOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;d12;s9s13;s7d14;s11;s4;s17;s18;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClN2O2 |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.26513 |
Area: | 459.125 |
Solvation: | -3.213 |
Coulombic: | -28.1562 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.1 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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