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Chemical ID: 6517792
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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