Chemical ID: 7708607

C#CCCNc1c(=O)n(cc(n1)Cl)Cc2ccccc2
Chemical ID:
7708607
Name [?]:
None
SMILES [?]:
C#CCCNc1c(=O)n(cc(n1)Cl)Cc2ccccc2
InChi [?]:
InChI=1/C15H14ClN3O/c1-2-3-9-17-14-15(20)19(11-13(16)18-14)10-12-7-5-4-6-8-12/h1,4-8,11H,3,9-10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,18,17,19,16,20,4,14,10,15,11,6,7,13,5,12,9,8/E:(5,6)(7,8)/rA:20nCCCCNCCONCCNClCCCCCCC/rB:t1;s2;s3;s4;s5;s6;d7;s7;s9;d10;d6s11;s11;s9;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14ClN3O
All Atoms:34
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:10.5253
Area:506.9
Solvation:-2.14719
Coulombic:-40.57
Bond Count [?]
All:21
Single:14
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.65
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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