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Chemical ID: 5160962
Chemical ID:
5160962
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CC3C2c4ccccc4N3
InChi [?]:
InChI=1/C15H13N/c1-2-6-11-10(5-1)9-14-15(11)12-7-3-4-8-13(12)16-14/h1-8,14-16H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,12,13,6,3,11,14,7,5,4,10,15,8,9,16/rA:16cCCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;d11;s12;d13;d10s14;s8s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.2177 |
Area: | 368.716 |
Solvation: | -1.00021 |
Coulombic: | -14.5841 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 207.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.89 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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