Chemical ID: 6517792

c1ccc2c(c1)ccc3c2cc(c4c3cccc4)N
Chemical ID:
6517792
Name [?]:
chrysen-6-amine
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(c4c3cccc4)N
InChi [?]:
InChI=1/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2
InChi Info:
AuxInfo=1/0/N:1,2,16,17,6,3,15,18,7,8,11,5,4,14,9,13,10,12,19/rA:19nCCCCCCCCCCCCCCCCCCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9s13;d14;s15;d16;d13s17;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.94852
Area:411.798
Solvation:-1.34643
Coulombic:-20.2425
Bond Count [?]
All:22
Single:13
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:243.303
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:5.0
LogP (Chemaxon):4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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