Chemical ID: 4558971

c1ccc(cc1)c2c3c(ccn2)c4ccccc4[nH]3
Chemical ID:
4558971
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2c3c(ccn2)c4ccccc4[nH]3
InChi [?]:
InChI=1/C17H12N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-11,19H
InChi Info:
AuxInfo=1/0/N:1,2,6,15,16,3,5,14,17,10,11,4,13,9,18,7,8,12,19/E:(2,3)(6,7)/rA:19nCCCCCCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s9;s13;d14;s15;d16;d13s17;s8s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.84469
Area:418.037
Solvation:-1.60623
Coulombic:-19.4258
Bond Count [?]
All:22
Single:13
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:244.291
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.31
LogP (Chemaxon):4.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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