Chemical ID: 5174348

Cc1c2ccc3ccccc3c2cc4c1c(ccc4)C#N
Chemical ID:
5174348
Name [?]:
None
SMILES [?]:
Cc1c2ccc3ccccc3c2cc4c1c(ccc4)C#N
InChi [?]:
InChI=1/C20H13N/c1-13-17-10-9-14-5-2-3-8-18(14)19(17)11-15-6-4-7-16(12-21)20(13)15/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,18,7,19,17,10,5,4,13,20,2,6,14,16,3,11,12,15,21/rA:21nCCCCCCCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;d13;d2s14;s15;d16;s17;s14d18;s16;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13N
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.60249
Area:438.344
Solvation:-1.35611
Coulombic:-7.35004
Bond Count [?]
All:24
Single:14
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:267.324
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.98
LogP (Chemaxon):5.34

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Descriptor Annotations

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