Chemical ID: 4842240

CCCn1c2ccc(cc2c3c1nc4ccccc4n3)Cl
Chemical ID:
4842240
Name [?]:
None
SMILES [?]:
CCCn1c2ccc(cc2c3c1nc4ccccc4n3)Cl
InChi [?]:
InChI=1/C17H14ClN3/c1-2-9-21-15-8-7-11(18)10-12(15)16-17(21)20-14-6-4-3-5-13(14)19-16/h3-8,10H,2,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,15,7,6,3,9,8,10,19,14,5,11,12,21,20,13,4/rA:21nCCCNCCCCCCCCNCCCCCCNCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClN3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.6408
Area:479.542
Solvation:-1.34779
Coulombic:-21.1321
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:295.766
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.48
LogP (Chemaxon):5.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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