Chemical ID: 4942110

Cc1c2ccncc2c(c3c1[nH]c4c3cc(cc4)Cl)C
Chemical ID:
4942110
Name [?]:
None
SMILES [?]:
Cc1c2ccncc2c(c3c1[nH]c4c3cc(cc4)Cl)C
InChi [?]:
InChI=1/C17H13ClN2/c1-9-14-8-19-6-5-12(14)10(2)17-16(9)13-7-11(18)3-4-15(13)20-17/h3-8,20H,1-2H3
InChi Info:
AuxInfo=1/0/N:20,1,17,18,4,5,15,7,9,2,16,3,14,8,13,10,11,19,6,12/rA:20nCCCCCNCCCCCNCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;s10s13;d14;s15;d16;d13s17;s16;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.33975
Area:443.06
Solvation:-1.73675
Coulombic:-16.8011
Bond Count [?]
All:23
Single:15
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:280.751
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.83
LogP (Chemaxon):4.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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