Chemical ID: 5278744

Cc1nc2ccc(cc2c3n1c4ccccc4c3NC(=O)C)Cl
Chemical ID:
5278744
Name [?]:
None
SMILES [?]:
Cc1nc2ccc(cc2c3n1c4ccccc4c3NC(=O)C)Cl
InChi [?]:
InChI=1/C18H14ClN3O/c1-10-20-15-8-7-12(19)9-14(15)18-17(21-11(2)23)13-5-3-4-6-16(13)22(10)18/h3-9H,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,15,14,16,13,6,5,8,2,20,7,17,9,4,12,18,10,23,3,19,11,21/rA:23nCCNCCCCCCCNCCCCCCCNCOCCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;s11;s12;d13;s14;d15;d12s16;d10s17;s18;s19;d20;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClN3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.50333
Area:489.942
Solvation:-2.74522
Coulombic:-31.1748
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:323.776
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.14
LogP (Chemaxon):3.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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